1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C23H24ClFN2O2 — CID 55396606

IUPAC1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(Cc2ccc(F)cc2)C2CC2)C1
InChIInChI=1S/C23H24ClFN2O2/c24-19-7-5-17(6-8-19)22(28)26-13-1-2-18(15-26)23(29)27(21-11-12-21)14-16-3-9-20(25)10-4-16/h3-10,18,21H,1-2,11-15H2
InChIKeyLSDYWVJHHQKEPG-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.52
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 55396606) has the molecular formula C23H24ClFN2O2 and a molecular weight of 414.91 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID55396606
Molecular FormulaC23H24ClFN2O2
Molecular Weight414.91 g/mol
Exact Mass414.15
IUPAC Name1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(Cc2ccc(F)cc2)C2CC2)C1
InChIInChI=1S/C23H24ClFN2O2/c24-19-7-5-17(6-8-19)22(28)26-13-1-2-18(15-26)23(29)27(21-11-12-21)14-16-3-9-20(25)10-4-16/h3-10,18,21H,1-2,11-15H2
InChIKeyLSDYWVJHHQKEPG-UHFFFAOYSA-N
XLogP4.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 43025139
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 40985102
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622566
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
1-(4-chlorobenzoyl)-N,N-bis(2-cyanoethyl)piperidine-3-carboxamide
CID 51185593
1-(4-chlorobenzoyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 24679712
1-(4-chlorobenzoyl)-N-(2-cyanoethyl)-N-(oxan-4-yl)piperidine-3-carboxamide
CID 56534830

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 55396606) is 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is O=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N(Cc2ccc(F)cc2)C2CC2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is LSDYWVJHHQKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O2/c24-19-7-5-17(6-8-19)22(28)26-13-1-2-18(15-26)23(29)27(21-11-12-21)14-16-3-9-20(25)10-4-16/h3-10,18,21H,1-2,11-15H2.
What are the key properties of 1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 414.91 g/mol, XLogP of 4.52, 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-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55396606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).