N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide

C19H24ClFN2O2 — CID 72887342

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-17-11-16(21)6-5-15(17)12-22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,22,24)
InChIKeyWSCXQLDTPVPFTA-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.52
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide (PubChem CID 72887342) has the molecular formula C19H24ClFN2O2 and a molecular weight of 366.86 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
PubChem CID72887342
Molecular FormulaC19H24ClFN2O2
Molecular Weight366.86 g/mol
Exact Mass366.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H24ClFN2O2/c20-17-11-16(21)6-5-15(17)12-22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,22,24)
InChIKeyWSCXQLDTPVPFTA-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-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-[(2-chloro-4-fluorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 3236011
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
cis-(1R,3S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxycyclohexane-1-carboxamide
CID 133268532
N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-pyrazolidin-3-ylfuran-2-yl)sulfonylpiperidine-4-carboxamide
CID 75549218
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 42923947
N-[(2-chloro-4-cyanophenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 171622010
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylthiazinane-3-carboxamide
CID 91240604
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119853322
4-[(cyclooctanecarbonylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide;methane
CID 173135978
N-[(2-chloro-4-fluorophenyl)methyl]-1-(6-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl)piperidine-4-carboxamide
CID 91889498

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide (CID 72887342) is N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide?
The InChIKey is WSCXQLDTPVPFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O2/c20-17-11-16(21)6-5-15(17)12-22-18(24)13-7-9-23(10-8-13)19(25)14-3-1-2-4-14/h5-6,11,13-14H,1-4,7-10,12H2,(H,22,24).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide has a molecular weight of 366.86 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 72887342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).