1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide

C17H24ClN3O3 — CID 652537

IUPAC1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-24-12-2-9-19-16(22)13-7-10-21(11-8-13)17(23)20-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNJGAKFSWJVSLKW-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.74
Rot. Bonds6

About 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide

1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide (PubChem CID 652537) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide
PubChem CID652537
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide
SMILESCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-24-12-2-9-19-16(22)13-7-10-21(11-8-13)17(23)20-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyNJGAKFSWJVSLKW-UHFFFAOYSA-N
XLogP2.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
Urea, 1-(p-chlorophenyl)-3-(3-morpholinopropyl)-
CID 1809198
N1-phenylpiperidine-1,4-dicarboxamide
CID 769265
(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
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 6462588
Ethyl 1-(3-((3-chlorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740068
Ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
1-(4-Chlorophenyl)-3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]urea
CID 6621466
N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea
CID 873825
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215
1-(3-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783220

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide (CID 652537) is 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide is COCCCNC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide?
The InChIKey is NJGAKFSWJVSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-24-12-2-9-19-16(22)13-7-10-21(11-8-13)17(23)20-15-5-3-14(18)4-6-15/h3-6,13H,2,7-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide?
1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide has a molecular weight of 353.85 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 652537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).