2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile

C14H17N3O — CID 28580921

IUPAC2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H17N3O/c15-10-12-6-2-3-7-13(12)16-11-14(18)17-8-4-1-5-9-17/h2-3,6-7,16H,1,4-5,8-9,11H2
InChIKeyHNSVYPMFCIRBRP-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds3

About 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile

2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile (PubChem CID 28580921) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
PubChem CID28580921
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
SMILESN#Cc1ccccc1NCC(=O)N1CCCCC1
InChIInChI=1S/C14H17N3O/c15-10-12-6-2-3-7-13(12)16-11-14(18)17-8-4-1-5-9-17/h2-3,6-7,16H,1,4-5,8-9,11H2
InChIKeyHNSVYPMFCIRBRP-UHFFFAOYSA-N
XLogP1.98
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-nitro-3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 104718033
5-fluoro-2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79771129
2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]amino]benzonitrile
CID 109004597
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
CID 28568569
2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
3-fluoro-4-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 79769787
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
2-nitro-3-[(2-oxo-2-piperazin-1-ylethyl)amino]benzonitrile
CID 104719942

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The IUPAC name of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile (CID 28580921) is 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile.
What is the SMILES notation for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The canonical SMILES for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile is N#Cc1ccccc1NCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
The InChIKey is HNSVYPMFCIRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-12-6-2-3-7-13(12)16-11-14(18)17-8-4-1-5-9-17/h2-3,6-7,16H,1,4-5,8-9,11H2.
What are the key properties of 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile?
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile is sourced from PubChem (CID 28580921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).