4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

C17H24FN3O — CID 38947749

IUPAC4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24FN3O/c18-16-8-4-1-5-14(16)13-19-17(22)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2,(H,19,22)
InChIKeyLYTWPLWGVQMAQI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.60
Rot. Bonds3

About 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 38947749) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID38947749
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H24FN3O/c18-16-8-4-1-5-14(16)13-19-17(22)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2,(H,19,22)
InChIKeyLYTWPLWGVQMAQI-UHFFFAOYSA-N
XLogP2.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(5-bromo-2-fluorophenyl)methyl]-4-cyclopropyl-1,4-diazepane-1-carboxamide
CID 49124698
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
1-cyclopentyl-4-[(2-fluorophenyl)methyl]piperazine
CID 740956
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 38947749) is 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LYTWPLWGVQMAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c18-16-8-4-1-5-14(16)13-19-17(22)21-11-9-20(10-12-21)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2,(H,19,22).
What are the key properties of 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 38947749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).