1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C21H22N4O2 — CID 133457556

IUPAC1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(C#N)cc1N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15(26)19-5-4-16(12-22)11-20(19)25-9-6-18(7-10-25)21(27)24-14-17-3-2-8-23-13-17/h2-5,8,11,13,18H,6-7,9-10,14H2,1H3,(H,24,27)
InChIKeyBHTZXJFTRYKAGW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.69
Rot. Bonds5

About 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 133457556) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID133457556
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)c1ccc(C#N)cc1N1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15(26)19-5-4-16(12-22)11-20(19)25-9-6-18(7-10-25)21(27)24-14-17-3-2-8-23-13-17/h2-5,8,11,13,18H,6-7,9-10,14H2,1H3,(H,24,27)
InChIKeyBHTZXJFTRYKAGW-UHFFFAOYSA-N
XLogP2.69
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(4-methylpyrimidin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3590836
1-(5-bromo-2-nitrophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453814
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276369
1-(8-methoxy-2-methylquinolin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453800
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 133457556) is 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CC(=O)c1ccc(C#N)cc1N1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is BHTZXJFTRYKAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(26)19-5-4-16(12-22)11-20(19)25-9-6-18(7-10-25)21(27)24-14-17-3-2-8-23-13-17/h2-5,8,11,13,18H,6-7,9-10,14H2,1H3,(H,24,27).
What are the key properties of 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 133457556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).