N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide

C16H22FN3O — CID 110086700

IUPACN-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H22FN3O/c17-12-5-7-14(8-6-12)20-10-9-18-15(11-20)16(21)19-13-3-1-2-4-13/h5-8,13,15,18H,1-4,9-11H2,(H,19,21)
InChIKeyLLLWZMGVJFWRJH-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.66
Rot. Bonds3

About N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide

N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide (PubChem CID 110086700) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
PubChem CID110086700
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
SMILESO=C(NC1CCCC1)C1CN(c2ccc(F)cc2)CCN1
InChIInChI=1S/C16H22FN3O/c17-12-5-7-14(8-6-12)20-10-9-18-15(11-20)16(21)19-13-3-1-2-4-13/h5-8,13,15,18H,1-4,9-11H2,(H,19,21)
InChIKeyLLLWZMGVJFWRJH-UHFFFAOYSA-N
XLogP1.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
(2S)-N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 125018385
N-cyclobutyl-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110086728
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
(2S)-4-(4-cyclopentylpyrimidin-2-yl)-N-cyclopropylpiperazine-2-carboxamide
CID 95711110
4-(4-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperazine-2-carboxamide
CID 127244523
[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
CID 124997732
4-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
CID 110086674
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
1-cycloheptyl-3-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]urea
CID 71886089
4-(4-fluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperazine-2-carboxamide
CID 110086689

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide (CID 110086700) is N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide is O=C(NC1CCCC1)C1CN(c2ccc(F)cc2)CCN1.
What is the InChIKey of N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide?
The InChIKey is LLLWZMGVJFWRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-12-5-7-14(8-6-12)20-10-9-18-15(11-20)16(21)19-13-3-1-2-4-13/h5-8,13,15,18H,1-4,9-11H2,(H,19,21).
What are the key properties of N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide?
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).