1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide

C21H24ClN3O3 — CID 43815719

IUPAC1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-7-5-15(6-8-19)14-23-20(26)16-9-11-25(12-10-16)21(27)24-18-4-2-3-17(22)13-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyODGRZXALKJMKBZ-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.91
Rot. Bonds5

About 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide

1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 43815719) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
PubChem CID43815719
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O3/c1-28-19-7-5-15(6-8-19)14-23-20(26)16-9-11-25(12-10-16)21(27)24-18-4-2-3-17(22)13-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyODGRZXALKJMKBZ-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 7478442
1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
CID 20956100
1-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109148585
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
4-[2-[(4-butoxyphenyl)methylamino]-2-oxoethyl]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 52998749
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
N-(3-chlorophenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1072800
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide (CID 43815719) is 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is ODGRZXALKJMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c1-28-19-7-5-15(6-8-19)14-23-20(26)16-9-11-25(12-10-16)21(27)24-18-4-2-3-17(22)13-18/h2-8,13,16H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide?
1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 401.89 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 43815719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).