1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C24H29N3O2 — CID 126471693

IUPAC1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ncccc1C
InChIInChI=1S/C24H29N3O2/c1-16-6-3-4-8-20(16)22(21-17(2)7-5-13-25-21)26-23(28)18-11-14-27(15-12-18)24(29)19-9-10-19/h3-8,13,18-19,22H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyDHPSSWLCBVXEHP-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.55
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 126471693) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID126471693
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ncccc1C
InChIInChI=1S/C24H29N3O2/c1-16-6-3-4-8-20(16)22(21-17(2)7-5-13-25-21)26-23(28)18-11-14-27(15-12-18)24(29)19-9-10-19/h3-8,13,18-19,22H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyDHPSSWLCBVXEHP-UHFFFAOYSA-N
XLogP3.55
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126472444
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 126475356
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
1-(4-cyanobenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474502
1-(cyclopropanecarbonyl)-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126474402
N-[(S)-(2-methylphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097060
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
CID 126872697
(3R)-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 97274460
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 126471693) is 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1ccccc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ncccc1C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is DHPSSWLCBVXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-6-3-4-8-20(16)22(21-17(2)7-5-13-25-21)26-23(28)18-11-14-27(15-12-18)24(29)19-9-10-19/h3-8,13,18-19,22H,9-12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126471693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).