1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C24H29N3O2 — CID 42865264

IUPAC1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CC(C(=O)NCCc3ccccn3)CN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C24H29N3O2/c1-17-5-4-6-19(13-17)20-14-21(16-27(15-20)24(29)18-8-9-18)23(28)26-12-10-22-7-2-3-11-25-22/h2-7,11,13,18,20-21H,8-10,12,14-16H2,1H3,(H,26,28)
InChIKeyOTDDSEXOZIUHEA-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.09
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 42865264) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID42865264
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CC(C(=O)NCCc3ccccn3)CN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C24H29N3O2/c1-17-5-4-6-19(13-17)20-14-21(16-27(15-20)24(29)18-8-9-18)23(28)26-12-10-22-7-2-3-11-25-22/h2-7,11,13,18,20-21H,8-10,12,14-16H2,1H3,(H,26,28)
InChIKeyOTDDSEXOZIUHEA-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide;propane
CID 144736514
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999274
(3R,5S)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999273
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 42865264) is 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is Cc1cccc(C2CC(C(=O)NCCc3ccccn3)CN(C(=O)C3CC3)C2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is OTDDSEXOZIUHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-5-4-6-19(13-17)20-14-21(16-27(15-20)24(29)18-8-9-18)23(28)26-12-10-22-7-2-3-11-25-22/h2-7,11,13,18,20-21H,8-10,12,14-16H2,1H3,(H,26,28).
What are the key properties of 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-5-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42865264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).