1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

C15H18N4O2 — CID 799678

IUPAC1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H18N4O2/c16-9-12-3-1-2-4-13(12)18-14(20)10-19-7-5-11(6-8-19)15(17)21/h1-4,11H,5-8,10H2,(H2,17,21)(H,18,20)
InChIKeyOBKDKAVOOVZHEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.69
Rot. Bonds4

About 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 799678) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID799678
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESN#Cc1ccccc1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H18N4O2/c16-9-12-3-1-2-4-13(12)18-14(20)10-19-7-5-11(6-8-19)15(17)21/h1-4,11H,5-8,10H2,(H2,17,21)(H,18,20)
InChIKeyOBKDKAVOOVZHEL-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

N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
1-[2-(2-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2919057
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(2-cyanophenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63281967
1-[2-[2-(1-cyanopropan-2-ylsulfanyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 75467392
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-(4-benzhydrylpiperazin-1-yl)-N-(2-cyanophenyl)acetamide
CID 2653850
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
N-(2-cyanophenyl)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55482155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 799678) is 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is N#Cc1ccccc1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is OBKDKAVOOVZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-9-12-3-1-2-4-13(12)18-14(20)10-19-7-5-11(6-8-19)15(17)21/h1-4,11H,5-8,10H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-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-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 799678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).