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

C23H25FN2O2 — CID 108980004

IUPAC1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H25FN2O2/c24-19-7-4-8-20(16-19)25-21(27)23(11-12-23)22(28)26-13-9-18(10-14-26)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,25,27)
InChIKeyQGYBALWMFRDZIL-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.03
Rot. Bonds5

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

1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 108980004) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID108980004
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H25FN2O2/c24-19-7-4-8-20(16-19)25-21(27)23(11-12-23)22(28)26-13-9-18(10-14-26)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,25,27)
InChIKeyQGYBALWMFRDZIL-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.03
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-methylphenyl)cyclopropane-1-carboxamide
CID 108979983
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
1-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 108975819
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-chlorophenyl)cyclopropane-1-carboxamide
CID 108979998
1-(4-benzylpiperidine-1-carbonyl)-N-(2-methylphenyl)cyclopropane-1-carboxamide
CID 108979982
1-(4-benzylpiperidine-1-carbonyl)-N-(2,3-dimethylphenyl)cyclopropane-1-carboxamide
CID 108979992
3-(4-benzylpiperidin-1-yl)-N-(3-fluorophenyl)azetidine-1-carboxamide
CID 67082537
[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-aminocyclopentyl)-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 119296753

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 108980004) is 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(F)c1)C1(C(=O)N2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QGYBALWMFRDZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c24-19-7-4-8-20(16-19)25-21(27)23(11-12-23)22(28)26-13-9-18(10-14-26)15-17-5-2-1-3-6-17/h1-8,16,18H,9-15H2,(H,25,27).
What are the key properties of 1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide?
1-(4-benzylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 4.03, 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-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).