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

C21H24ClN3O2 — CID 24982314

IUPAC4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-24(15-16-6-5-7-18(22)14-16)20(26)17-10-12-25(13-11-17)21(27)23-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,23,27)
InChIKeyKXFRCUYHPGCAHS-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.24
Rot. Bonds4

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

4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 24982314) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID24982314
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O2/c1-24(15-16-6-5-7-18(22)14-16)20(26)17-10-12-25(13-11-17)21(27)23-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,23,27)
InChIKeyKXFRCUYHPGCAHS-UHFFFAOYSA-N
XLogP4.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 24982314) is 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is CN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is KXFRCUYHPGCAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-24(15-16-6-5-7-18(22)14-16)20(26)17-10-12-25(13-11-17)21(27)23-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,23,27).
What are the key properties of 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 385.90 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-chlorophenyl)methyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 24982314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).