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

C23H27N3O2 — CID 126472444

IUPAC1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-16-6-5-13-24-20(16)21(17-7-3-2-4-8-17)25-22(27)18-11-14-26(15-12-18)23(28)19-9-10-19/h2-8,13,18-19,21H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyIUFNZPUJQOFXCG-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.24
Rot. Bonds5

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

1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 126472444) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID126472444
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O2/c1-16-6-5-13-24-20(16)21(17-7-3-2-4-8-17)25-22(27)18-11-14-26(15-12-18)23(28)19-9-10-19/h2-8,13,18-19,21H,9-12,14-15H2,1H3,(H,25,27)
InChIKeyIUFNZPUJQOFXCG-UHFFFAOYSA-N
XLogP3.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 126471693
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
1-N-ethyl-4-N-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 126475356
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 41188239
1-acetyl-N-methyl-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126471945
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
tert-butyl 4-[[phenyl(pyridin-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 44765018

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide (CID 126472444) is 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is Cc1cccnc1C(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccccc1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is IUFNZPUJQOFXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-6-5-13-24-20(16)21(17-7-3-2-4-8-17)25-22(27)18-11-14-26(15-12-18)23(28)19-9-10-19/h2-8,13,18-19,21H,9-12,14-15H2,1H3,(H,25,27).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 126472444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).