4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

C20H30FN3O — CID 113109024

IUPAC4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C20H30FN3O/c21-19-10-6-5-7-17(19)11-12-22-20(25)24-15-13-23(14-16-24)18-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-16H2,(H,22,25)
InChIKeyVSCCOHXBXSAYGS-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.42
Rot. Bonds4

About 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide

4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109024) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109024
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C20H30FN3O/c21-19-10-6-5-7-17(19)11-12-22-20(25)24-15-13-23(14-16-24)18-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-16H2,(H,22,25)
InChIKeyVSCCOHXBXSAYGS-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-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

4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
CID 119062734
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
N-[2-(2-fluorophenyl)ethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
CID 87000027
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113109024) is 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is O=C(NCCc1ccccc1F)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is VSCCOHXBXSAYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c21-19-10-6-5-7-17(19)11-12-22-20(25)24-15-13-23(14-16-24)18-8-3-1-2-4-9-18/h5-7,10,18H,1-4,8-9,11-16H2,(H,22,25).
What are the key properties of 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).