(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)

C174H210N30O12 — CID 158016528

IUPAC(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O
InChIInChI=1S/6C29H35N5O2/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36)/t3*22-,28+;3*22-,28-/m110110/s1
InChIKeyFFNPJKIBZXLRBG-YOBDAZTISA-N
MW2913.79 g/mol
LogP24.79
Rot. Bonds54

About (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)

(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) (PubChem CID 158016528) has the molecular formula C174H210N30O12 and a molecular weight of 2913.79 g/mol. Its IUPAC name is (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide).

Molecular Properties

Compound Name(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)
PubChem CID158016528
Molecular FormulaC174H210N30O12
Molecular Weight2913.79 g/mol
Exact Mass2911.67
IUPAC Name(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)
SMILESCCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O
InChIInChI=1S/6C29H35N5O2/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36)/t3*22-,28+;3*22-,28-/m110110/s1
InChIKeyFFNPJKIBZXLRBG-YOBDAZTISA-N
XLogP24.79
TPSA465.42 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds54
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002913.79
LogP ≤ 524.79
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) with MolForge

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Launch Full Analysis

Related Compounds

Gnf6231
CID 46927297
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
2-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 155519740
1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridin-3-ylacetamide
CID 67128018
3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]-3-pyridinyl]methyl]piperidin-4-yl]benzamide
CID 71458712
US10251893, Cpd 190
CID 46927296
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(4-(2-fluoropyridin-4-yl)phenyl)acetamide
CID 58447697
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(3-fluoro-4-(2-methylpyridin-4-yl)phenyl)acetamide
CID 58447773
N-(5-(4-acetylpiperazin-1-yl)pyridin-2-yl)-2-(3-fluoro-4-(2-fluoropyridin-4-yl)phenyl)acetamide
CID 58447812
N-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexanoyl-methylamino]octyl]-N-methyl-6-[[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexanamide
CID 10606253
6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]-N-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexanoyl-methylamino]octyl]-N-methylhexanamide
CID 16144765

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)?
The IUPAC name of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) (CID 158016528) is (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide).
What is the SMILES notation for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)?
The canonical SMILES for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) is CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.CCN1CCN(c2ccc(NC(=O)[C@H](NC[C@H](C)c3ccc(C)cc3)c3ccccc3)nc2)CC1=O.
What is the InChIKey of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)?
The InChIKey is FFNPJKIBZXLRBG-YOBDAZTISA-N. The full InChI is InChI=1S/6C29H35N5O2/c6*1-4-33-16-17-34(20-27(33)35)25-14-15-26(30-19-25)32-29(36)28(24-8-6-5-7-9-24)31-18-22(3)23-12-10-21(2)11-13-23/h6*5-15,19,22,28,31H,4,16-18,20H2,1-3H3,(H,30,32,36)/t3*22-,28+;3*22-,28-/m110110/s1.
What are the key properties of (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide)?
(2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) has a molecular weight of 2913.79 g/mol, XLogP of 24.79, 54 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2R)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide);(2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2R)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;bis((2S)-N-[5-(4-ethyl-3-oxopiperazin-1-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide) is sourced from PubChem (CID 158016528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).