1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

C21H23ClFN3O2 — CID 53117307

IUPAC1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClFN3O2/c1-21(19(27)24-13-15-3-7-17(23)8-4-15)11-2-12-26(14-21)20(28)25-18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyKIHONQAOSYTQLY-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.43
Rot. Bonds4

About 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide

1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117307) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117307
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
SMILESCC1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClFN3O2/c1-21(19(27)24-13-15-3-7-17(23)8-4-15)11-2-12-26(14-21)20(28)25-18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyKIHONQAOSYTQLY-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide 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

(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
CID 139267761
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
N-[2-(tert-butyl)phenyl]-N'-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]urea
CID 2810581
N-{[1-(3-chlorobenzyl)piperidin-4-yl]methyl}-N'-(4-chlorophenyl)urea
CID 6625088
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 1342233
1-(4-chlorophenyl)-N-(3,5-difluorophenyl)-2-(3-fluorophenyl)-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24955598
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
1-(4-Chloro-3-(trifluoromethyl)phenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783426

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide (CID 53117307) is 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is CC1(C(=O)NCc2ccc(F)cc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is KIHONQAOSYTQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-21(19(27)24-13-15-3-7-17(23)8-4-15)11-2-12-26(14-21)20(28)25-18-9-5-16(22)6-10-18/h3-10H,2,11-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide?
1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).