N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide

C22H26ClN3O2 — CID 46882972

IUPACN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyANRFQNJNXPRQGM-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.43
Rot. Bonds5

About N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 46882972) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
PubChem CID46882972
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyANRFQNJNXPRQGM-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-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

Lorcainide
CID 42884
Lorcainide Hydrochloride
CID 6917855
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11524413
Methyl 3-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoate
CID 25138325
N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
CID 46882949
1-(4-Chloro-phenyl)-3-(3,3-diphenyl-allyl)-urea
CID 44265973
(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
CID 139267758
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
CID 168297674
N-[2-(tert-butyl)phenyl]-N'-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]urea
CID 2810581
N-(4-chlorophenyl)-N'-[3-(3,4-dihydro-2(1H)-isoquinolinyl)propyl]urea
CID 2214231

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (CID 46882972) is N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is CNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is ANRFQNJNXPRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).