3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide

C20H26N4O2 — CID 49061663

IUPAC3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C#N)CC3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-4-2-6-18(12-15)22-20(26)24-9-3-5-17(14-24)19(25)23-10-7-16(13-21)8-11-23/h2,4,6,12,16-17H,3,5,7-11,14H2,1H3,(H,22,26)
InChIKeyOEJJFVKFRXGFPW-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.00
Rot. Bonds2

About 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide

3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 49061663) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID49061663
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C#N)CC3)C2)c1
InChIInChI=1S/C20H26N4O2/c1-15-4-2-6-18(12-15)22-20(26)24-9-3-5-17(14-24)19(25)23-10-7-16(13-21)8-11-23/h2,4,6,12,16-17H,3,5,7-11,14H2,1H3,(H,22,26)
InChIKeyOEJJFVKFRXGFPW-UHFFFAOYSA-N
XLogP3.00
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 84927779
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
N-(3-benzylphenyl)-3-cyanopiperidine-1-carboxamide
CID 72916114
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 49061663) is 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)N3CCC(C#N)CC3)C2)c1.
What is the InChIKey of 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is OEJJFVKFRXGFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-4-2-6-18(12-15)22-20(26)24-9-3-5-17(14-24)19(25)23-10-7-16(13-21)8-11-23/h2,4,6,12,16-17H,3,5,7-11,14H2,1H3,(H,22,26).
What are the key properties of 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide?
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 49061663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).