1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide

C25H30N2O2 — CID 108979992

IUPAC1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C25H30N2O2/c1-18-7-6-10-22(19(18)2)26-23(28)25(13-14-25)24(29)27-15-11-21(12-16-27)17-20-8-4-3-5-9-20/h3-10,21H,11-17H2,1-2H3,(H,26,28)
InChIKeyICGUFMJIMFMSCD-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide

1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 108979992) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID108979992
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1C
InChIInChI=1S/C25H30N2O2/c1-18-7-6-10-22(19(18)2)26-23(28)25(13-14-25)24(29)27-15-11-21(12-16-27)17-20-8-4-3-5-9-20/h3-10,21H,11-17H2,1-2H3,(H,26,28)
InChIKeyICGUFMJIMFMSCD-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.50
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-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
2-(4-benzylpiperidin-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 44902552
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
1-(4-benzylpiperidine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108980011
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
N-(2-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972398
[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-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
1-N'-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980646
1-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide (CID 108979992) is 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide is Cc1cccc(NC(=O)C2(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1C.
What is the InChIKey of 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is ICGUFMJIMFMSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-18-7-6-10-22(19(18)2)26-23(28)25(13-14-25)24(29)27-15-11-21(12-16-27)17-20-8-4-3-5-9-20/h3-10,21H,11-17H2,1-2H3,(H,26,28).
What are the key properties of 1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.50, 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-(2,3-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108979992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).