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

C20H22ClN3O2 — CID 7478442

IUPAC4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-17-6-4-5-15(13-17)14-22-19(25)16-9-11-24(12-10-16)20(26)23-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeyZAQCNVIHJHBNJY-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.90
Rot. Bonds4

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

4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 7478442) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID7478442
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c21-17-6-4-5-15(13-17)14-22-19(25)16-9-11-24(12-10-16)20(26)23-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26)
InChIKeyZAQCNVIHJHBNJY-UHFFFAOYSA-N
XLogP3.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
N-[(3-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27535031
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-N-phenyl-4-N-[[3-[(2-pyrazol-1-ylacetyl)amino]phenyl]methyl]piperidine-1,4-dicarboxamide
CID 55979110
N-benzyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152955
1-N-[(3-chlorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 108898738
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16769351
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 7478442) is 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is O=C(NCc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is ZAQCNVIHJHBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-6-4-5-15(13-17)14-22-19(25)16-9-11-24(12-10-16)20(26)23-18-7-2-1-3-8-18/h1-8,13,16H,9-12,14H2,(H,22,25)(H,23,26).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 7478442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).