1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide

C27H26N4O2 — CID 126474502

IUPAC1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-6-5-15-29-24(19)25(21-7-3-2-4-8-21)30-26(32)22-13-16-31(17-14-22)27(33)23-11-9-20(18-28)10-12-23/h2-12,15,22,25H,13-14,16-17H2,1H3,(H,30,32)
InChIKeyOORRHDUQWTVXQI-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide

1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 126474502) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID126474502
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1
InChIInChI=1S/C27H26N4O2/c1-19-6-5-15-29-24(19)25(21-7-3-2-4-8-21)30-26(32)22-13-16-31(17-14-22)27(33)23-11-9-20(18-28)10-12-23/h2-12,15,22,25H,13-14,16-17H2,1H3,(H,30,32)
InChIKeyOORRHDUQWTVXQI-UHFFFAOYSA-N
XLogP4.02
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 126475356
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
CID 167793693
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126471945

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (CID 126474502) is 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is Cc1cccnc1C(NC(=O)C1CCN(C(=O)c2ccc(C#N)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is OORRHDUQWTVXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-6-5-15-29-24(19)25(21-7-3-2-4-8-21)30-26(32)22-13-16-31(17-14-22)27(33)23-11-9-20(18-28)10-12-23/h2-12,15,22,25H,13-14,16-17H2,1H3,(H,30,32).
What are the key properties of 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126474502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).