1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide

C24H28N2O2 — CID 108979983

IUPAC1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H28N2O2/c1-18-6-5-9-21(16-18)25-22(27)24(12-13-24)23(28)26-14-10-20(11-15-26)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,25,27)
InChIKeyWDIOHPQRKFNFSI-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide

1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 108979983) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID108979983
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C24H28N2O2/c1-18-6-5-9-21(16-18)25-22(27)24(12-13-24)23(28)26-14-10-20(11-15-26)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,25,27)
InChIKeyWDIOHPQRKFNFSI-UHFFFAOYSA-N
XLogP4.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108980011
1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 108979992
1-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108974310
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971633
[1-(4-benzylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972015
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
1-(4-benzylpiperidin-1-yl)-2-[(3-methylphenyl)methylamino]ethanone
CID 108996770
4-[(3-methylphenyl)methyl]piperidine-1-carboxylic acid
CID 69344046

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide (CID 108979983) is 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WDIOHPQRKFNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-18-6-5-9-21(16-18)25-22(27)24(12-13-24)23(28)26-14-10-20(11-15-26)17-19-7-3-2-4-8-19/h2-9,16,20H,10-15,17H2,1H3,(H,25,27).
What are the key properties of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108979983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).