1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one

C16H17ClN4O — CID 166257296

IUPAC1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
SMILESO=C1C(Nc2nccnc2Cl)CCCN1Cc1ccccc1
InChIInChI=1S/C16H17ClN4O/c17-14-15(19-9-8-18-14)20-13-7-4-10-21(16(13)22)11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20)
InChIKeyDFBIKCJCWIIDIG-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.73
Rot. Bonds4

About 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one

1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one (PubChem CID 166257296) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
PubChem CID166257296
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one
SMILESO=C1C(Nc2nccnc2Cl)CCCN1Cc1ccccc1
InChIInChI=1S/C16H17ClN4O/c17-14-15(19-9-8-18-14)20-13-7-4-10-21(16(13)22)11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20)
InChIKeyDFBIKCJCWIIDIG-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-benzyl-3-(methylamino)azepan-2-one
CID 58168871
N-(1-benzyl-2-oxopiperidin-3-yl)-5-methyl-1,3-oxazole-4-carboxamide
CID 84592310
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
N-(1-benzyl-2-oxopiperidin-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 136518534
5-[[2-oxo-1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122050955
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-chloropyrazin-2-amine
CID 131197683
1-benzyl-3-[4-[2-(triazol-1-yl)acetyl]piperazin-1-yl]piperidin-2-one
CID 75475147
(3S)-1-benzyl-3-[(S)-hydroxy(phenyl)methyl]piperidin-2-one
CID 166440267
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
CID 47083121
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079
1-benzyl-3-(4-fluorophenyl)piperidin-2-one
CID 22733840
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one (CID 166257296) is 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one is O=C1C(Nc2nccnc2Cl)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one?
The InChIKey is DFBIKCJCWIIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-14-15(19-9-8-18-14)20-13-7-4-10-21(16(13)22)11-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,19,20).
What are the key properties of 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one?
1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one has a molecular weight of 316.79 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-chloropyrazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 166257296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).