N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C27H36N4O2 — CID 56505818

IUPACN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-2-29-16-18-30(19-17-29)21-24-13-7-6-12-23(24)20-28-27(33)26(22-10-4-3-5-11-22)31-15-9-8-14-25(31)32/h3-7,10-13,26H,2,8-9,14-21H2,1H3,(H,28,33)
InChIKeyQUIMGXRALCZJGB-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.19
Rot. Bonds8

About N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505818) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505818
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC NameN-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C27H36N4O2/c1-2-29-16-18-30(19-17-29)21-24-13-7-6-12-23(24)20-28-27(33)26(22-10-4-3-5-11-22)31-15-9-8-14-25(31)32/h3-7,10-13,26H,2,8-9,14-21H2,1H3,(H,28,33)
InChIKeyQUIMGXRALCZJGB-UHFFFAOYSA-N
XLogP3.19
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-(3-aminopropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide;hydrochloride
CID 119406812
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505171
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-(3-hydroxy-4-methylpentyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111461259
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515176
N-(3-cyclopentylpropyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577591
(3S)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-phenylbutanamide
CID 51948261
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56538470
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505818) is N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCN1CCN(Cc2ccccc2CNC(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is QUIMGXRALCZJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-2-29-16-18-30(19-17-29)21-24-13-7-6-12-23(24)20-28-27(33)26(22-10-4-3-5-11-22)31-15-9-8-14-25(31)32/h3-7,10-13,26H,2,8-9,14-21H2,1H3,(H,28,33).
What are the key properties of N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 448.61 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).