N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide

C15H20FN3O — CID 68873168

IUPACN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(N2CCNCC2)c(F)c1)C1CC1
InChIInChI=1S/C15H20FN3O/c16-13-9-11(10-18-15(20)12-2-3-12)1-4-14(13)19-7-5-17-6-8-19/h1,4,9,12,17H,2-3,5-8,10H2,(H,18,20)
InChIKeyDXMKCBSBFJFCGL-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.26
Rot. Bonds4

About N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide

N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 68873168) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID68873168
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(N2CCNCC2)c(F)c1)C1CC1
InChIInChI=1S/C15H20FN3O/c16-13-9-11(10-18-15(20)12-2-3-12)1-4-14(13)19-7-5-17-6-8-19/h1,4,9,12,17H,2-3,5-8,10H2,(H,18,20)
InChIKeyDXMKCBSBFJFCGL-UHFFFAOYSA-N
XLogP1.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide 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

trans-(1R,2R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 124690541
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
(2S,3R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124697308
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 110904323
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
CID 87765798
(2R)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 94616637
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
trans-(1R,2R)-2-amino-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 124700252

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide (CID 68873168) is N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide is O=C(NCc1ccc(N2CCNCC2)c(F)c1)C1CC1.
What is the InChIKey of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is DXMKCBSBFJFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-13-9-11(10-18-15(20)12-2-3-12)1-4-14(13)19-7-5-17-6-8-19/h1,4,9,12,17H,2-3,5-8,10H2,(H,18,20).
What are the key properties of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide?
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 277.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 68873168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).