N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide

C14H17F2N3O — CID 113081399

IUPACN-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2N3O/c15-12-4-3-11(9-13(12)16)18-5-7-19(8-6-18)14(20)17-10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,17,20)
InChIKeyFOTYDOMHPYPYHA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.96
Rot. Bonds2

About N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide

N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113081399) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113081399
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H17F2N3O/c15-12-4-3-11(9-13(12)16)18-5-7-19(8-6-18)14(20)17-10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,17,20)
InChIKeyFOTYDOMHPYPYHA-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclopropyl-4-(3,4-difluorophenyl)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

N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
4-(3-chloro-4-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109711
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
[4-(3,4-difluorophenyl)piperazin-1-yl]-phenylmethanone
CID 113081342
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 112835191
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide (CID 113081399) is N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is FOTYDOMHPYPYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-12-4-3-11(9-13(12)16)18-5-7-19(8-6-18)14(20)17-10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113081399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).