6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide

C19H22N4O2 — CID 137340358

IUPAC6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc1
InChIInChI=1S/C19H22N4O2/c1-2-20-19(25)15-8-9-17(21-11-15)23-12-16(22-18(24)13-23)10-14-6-4-3-5-7-14/h3-9,11,16H,2,10,12-13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeyXZOJVHUBFNPFBA-INIZCTEOSA-N
MW338.41 g/mol
LogP1.38
Rot. Bonds5

About 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide

6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide (PubChem CID 137340358) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
PubChem CID137340358
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc1
InChIInChI=1S/C19H22N4O2/c1-2-20-19(25)15-8-9-17(21-11-15)23-12-16(22-18(24)13-23)10-14-6-4-3-5-7-14/h3-9,11,16H,2,10,12-13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1
InChIKeyXZOJVHUBFNPFBA-INIZCTEOSA-N
XLogP1.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1S,5S)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-ethylpyridine-3-carboxamide
CID 133121148
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
N-ethyl-6-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133314214
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
5-[5-(ethylcarbamoyl)-2-pyridinyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50957600
6-(4-benzylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1448003
6-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 134699696
(6S)-6-benzyl-4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 137335175
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496
6-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-N-ethylpyridine-3-carboxamide
CID 133473284
6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 135101927

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide (CID 137340358) is 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(N2CC(=O)N[C@@H](Cc3ccccc3)C2)nc1.
What is the InChIKey of 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide?
The InChIKey is XZOJVHUBFNPFBA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-20-19(25)15-8-9-17(21-11-15)23-12-16(22-18(24)13-23)10-14-6-4-3-5-7-14/h3-9,11,16H,2,10,12-13H2,1H3,(H,20,25)(H,22,24)/t16-/m0/s1.
What are the key properties of 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide?
6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 137340358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).