1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

C24H27FN2O2 — CID 108975819

IUPAC1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-8-6-20(7-9-21)17-26-22(28)24(12-13-24)23(29)27-14-10-19(11-15-27)16-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,26,28)
InChIKeyVTFPZTNTFMZJKO-UHFFFAOYSA-N
MW394.49 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide

1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 108975819) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
PubChem CID108975819
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H27FN2O2/c25-21-8-6-20(7-9-21)17-26-22(28)24(12-13-24)23(29)27-14-10-19(11-15-27)16-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,26,28)
InChIKeyVTFPZTNTFMZJKO-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 53.70
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-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976967
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 108980004
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
4-benzyl-N-[(4-fluorophenyl)methyl]piperidine-1-carbothioamide
CID 17298095
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
[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-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
1-(4-benzylpiperidine-1-carbonyl)-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 108979992

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide (CID 108975819) is 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is O=C(NCc1ccc(F)cc1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VTFPZTNTFMZJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c25-21-8-6-20(7-9-21)17-26-22(28)24(12-13-24)23(29)27-14-10-19(11-15-27)16-18-4-2-1-3-5-18/h1-9,19H,10-17H2,(H,26,28).
What are the key properties of 1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide?
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 3.70, 6 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-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108975819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).