(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C20H26N4O2 — CID 9446065

IUPAC(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-9-7-17(8-10-18)22-20(25)16(2)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyQQOYLZJIUGMHNS-MRXNPFEDSA-N
MW354.45 g/mol
LogP2.63
Rot. Bonds6

About (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 9446065) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID9446065
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-9-7-17(8-10-18)22-20(25)16(2)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyQQOYLZJIUGMHNS-MRXNPFEDSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906958
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
(2R)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 31455885
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 9446065) is (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CCOc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is QQOYLZJIUGMHNS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-26-18-9-7-17(8-10-18)22-20(25)16(2)23-12-14-24(15-13-23)19-6-4-5-11-21-19/h4-11,16H,3,12-15H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9446065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).