N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

C26H30F2N2O2 — CID 78853830

IUPACN-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1
InChIInChI=1S/C26H30F2N2O2/c27-22-9-5-19(6-10-22)13-18-30(24-3-1-2-4-24)26(32)21-14-16-29(17-15-21)25(31)20-7-11-23(28)12-8-20/h5-12,21,24H,1-4,13-18H2
InChIKeyHAEOGDCKRYBIOS-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.83
Rot. Bonds6

About N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide

N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 78853830) has the molecular formula C26H30F2N2O2 and a molecular weight of 440.53 g/mol. Its IUPAC name is N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID78853830
Molecular FormulaC26H30F2N2O2
Molecular Weight440.53 g/mol
Exact Mass440.23
IUPAC NameN-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(c1ccc(F)cc1)N1CCC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1
InChIInChI=1S/C26H30F2N2O2/c27-22-9-5-19(6-10-22)13-18-30(24-3-1-2-4-24)26(32)21-14-16-29(17-15-21)25(31)20-7-11-23(28)12-8-20/h5-12,21,24H,1-4,13-18H2
InChIKeyHAEOGDCKRYBIOS-UHFFFAOYSA-N
XLogP4.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 43025139
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
9-amino-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992814
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 112817524
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 78853833
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-nitrobenzamide
CID 78853764
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 78853832
methyl 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78877755
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(4-fluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 31238759
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-2-methylbutanamide
CID 78853629

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 78853830) is N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is O=C(c1ccc(F)cc1)N1CCC(C(=O)N(CCc2ccc(F)cc2)C2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is HAEOGDCKRYBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N2O2/c27-22-9-5-19(6-10-22)13-18-30(24-3-1-2-4-24)26(32)21-14-16-29(17-15-21)25(31)20-7-11-23(28)12-8-20/h5-12,21,24H,1-4,13-18H2.
What are the key properties of N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide?
N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(4-fluorobenzoyl)-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 78853830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).