1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide

C28H31N3O4 — CID 42868538

IUPAC1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C28H31N3O4/c1-34-23-14-15-24(26(17-23)35-2)30-27(32)22-13-16-25(21-11-7-4-8-12-21)31(19-22)28(33)29-18-20-9-5-3-6-10-20/h3-12,14-15,17,22,25H,13,16,18-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyDQOFDRVSFCAFQW-UHFFFAOYSA-N
MW473.57 g/mol
LogP5.01
Rot. Bonds7

About 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide

1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42868538) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
PubChem CID42868538
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C28H31N3O4/c1-34-23-14-15-24(26(17-23)35-2)30-27(32)22-13-16-25(21-11-7-4-8-12-21)31(19-22)28(33)29-18-20-9-5-3-6-10-20/h3-12,14-15,17,22,25H,13,16,18-19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyDQOFDRVSFCAFQW-UHFFFAOYSA-N
XLogP5.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.57
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
CID 46069307
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide (CID 42868538) is 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)NCc3ccccc3)C2)c(OC)c1.
What is the InChIKey of 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is DQOFDRVSFCAFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-34-23-14-15-24(26(17-23)35-2)30-27(32)22-13-16-25(21-11-7-4-8-12-21)31(19-22)28(33)29-18-20-9-5-3-6-10-20/h3-12,14-15,17,22,25H,13,16,18-19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide?
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 473.57 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42868538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).