1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C26H30ClFN2O2 — CID 43025139

IUPAC1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C26H30ClFN2O2/c27-22-10-8-20(9-11-22)25(31)29-16-14-21(15-17-29)26(32)30(24-4-2-1-3-5-24)18-19-6-12-23(28)13-7-19/h6-13,21,24H,1-5,14-18H2
InChIKeyBBHKAKPULSBGIR-UHFFFAOYSA-N
MW456.99 g/mol
LogP5.69
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 43025139) has the molecular formula C26H30ClFN2O2 and a molecular weight of 456.99 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID43025139
Molecular FormulaC26H30ClFN2O2
Molecular Weight456.99 g/mol
Exact Mass456.20
IUPAC Name1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1
InChIInChI=1S/C26H30ClFN2O2/c27-22-10-8-20(9-11-22)25(31)29-16-14-21(15-17-29)26(32)30(24-4-2-1-3-5-24)18-19-6-12-23(28)13-7-19/h6-13,21,24H,1-5,14-18H2
InChIKeyBBHKAKPULSBGIR-UHFFFAOYSA-N
XLogP5.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.99
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 78853830
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 42709840
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17119178
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 43025139) is 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is BBHKAKPULSBGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN2O2/c27-22-10-8-20(9-11-22)25(31)29-16-14-21(15-17-29)26(32)30(24-4-2-1-3-5-24)18-19-6-12-23(28)13-7-19/h6-13,21,24H,1-5,14-18H2.
What are the key properties of 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 456.99 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43025139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).