1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide

C15H18N4O2 — CID 43176765

IUPAC1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C15H18N4O2/c16-8-11-3-1-5-13(7-11)18-14(20)10-19-6-2-4-12(9-19)15(17)21/h1,3,5,7,12H,2,4,6,9-10H2,(H2,17,21)(H,18,20)
InChIKeyBAODPQGIOQWBRM-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.69
Rot. Bonds4

About 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43176765) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43176765
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C15H18N4O2/c16-8-11-3-1-5-13(7-11)18-14(20)10-19-6-2-4-12(9-19)15(17)21/h1,3,5,7,12H,2,4,6,9-10H2,(H2,17,21)(H,18,20)
InChIKeyBAODPQGIOQWBRM-UHFFFAOYSA-N
XLogP0.69
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743
N-(3-cyanophenyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107226088
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(3-cyanophenyl)acetamide
CID 11940583
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-cyanophenyl)acetamide
CID 62062180
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
methyl 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742254
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-cyanophenyl)acetamide
CID 79993290
1-[[3-[[(3-cyanophenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125792
2-[1-[2-(3-cyanoanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 43176765) is 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide is N#Cc1cccc(NC(=O)CN2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is BAODPQGIOQWBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-8-11-3-1-5-13(7-11)18-14(20)10-19-6-2-4-12(9-19)15(17)21/h1,3,5,7,12H,2,4,6,9-10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43176765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).