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

C16H22FN3O — CID 113103417

IUPAC4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H22FN3O/c17-15-4-2-1-3-13(15)7-8-18-16(21)20-11-9-19(10-12-20)14-5-6-14/h1-4,14H,5-12H2,(H,18,21)
InChIKeyZNGARDAZHSCRTP-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.86
Rot. Bonds4

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

4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113103417) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113103417
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H22FN3O/c17-15-4-2-1-3-13(15)7-8-18-16(21)20-11-9-19(10-12-20)14-5-6-14/h1-4,14H,5-12H2,(H,18,21)
InChIKeyZNGARDAZHSCRTP-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-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-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
CID 119062734
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
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-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113103417) is 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is O=C(NCCc1ccccc1F)N1CCN(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is ZNGARDAZHSCRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-15-4-2-1-3-13(15)7-8-18-16(21)20-11-9-19(10-12-20)14-5-6-14/h1-4,14H,5-12H2,(H,18,21).
What are the key properties of 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).