1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide

C28H32N4O2 — CID 46069441

IUPAC1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C28H32N4O2/c1-31(2)25-16-14-24(15-17-25)30-27(33)23-13-18-26(22-11-7-4-8-12-22)32(20-23)28(34)29-19-21-9-5-3-6-10-21/h3-12,14-17,23,26H,13,18-20H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyPSOGBCKPKURZID-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.05
Rot. Bonds6

About 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide

1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide (PubChem CID 46069441) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide
PubChem CID46069441
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C28H32N4O2/c1-31(2)25-16-14-24(15-17-25)30-27(33)23-13-18-26(22-11-7-4-8-12-22)32(20-23)28(34)29-19-21-9-5-3-6-10-21/h3-12,14-17,23,26H,13,18-20H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyPSOGBCKPKURZID-UHFFFAOYSA-N
XLogP5.05
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
N-[4-(dimethylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3109767
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
N-[4-(dimethylamino)phenyl]-4-oxocyclohexane-1-carboxamide
CID 112520495
3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 46067672

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide (CID 46069441) is 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide is CN(C)c1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is PSOGBCKPKURZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-31(2)25-16-14-24(15-17-25)30-27(33)23-13-18-26(22-11-7-4-8-12-22)32(20-23)28(34)29-19-21-9-5-3-6-10-21/h3-12,14-17,23,26H,13,18-20H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 456.59 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46069441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).