4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C17H24ClN3O2 — CID 113004292

IUPAC4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-7-14(8-10-21)16(22)19-11-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySEHIMCWGTJXNMW-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.79
Rot. Bonds4

About 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 113004292) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID113004292
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-7-14(8-10-21)16(22)19-11-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySEHIMCWGTJXNMW-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
4-N-[(4-chlorophenyl)methyl]-1-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109148509
N-[(4-chlorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147370
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
(3S)-3-(4-chlorophenyl)-N-propan-2-ylazepane-1-carboxamide
CID 99876758
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
tert-butyl (3S)-3-[[4-[(4-chlorophenyl)methoxy]phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 142744147
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 113004292) is 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is CC(C)NC(=O)N1CCC(C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is SEHIMCWGTJXNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(2)20-17(23)21-9-7-14(8-10-21)16(22)19-11-13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 113004292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).