1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

C29H33N3O3 — CID 42865431

IUPAC1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CC(C(=O)NC(C)c3ccccc3)CC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C29H33N3O3/c1-20-9-7-12-23(15-20)24-16-25(28(33)30-21(2)22-10-5-4-6-11-22)19-32(18-24)29(34)31-26-13-8-14-27(17-26)35-3/h4-15,17,21,24-25H,16,18-19H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyFHQWCACLQGOCJX-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.52
Rot. Bonds6

About 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 42865431) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID42865431
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2CC(C(=O)NC(C)c3ccccc3)CC(c3cccc(C)c3)C2)c1
InChIInChI=1S/C29H33N3O3/c1-20-9-7-12-23(15-20)24-16-25(28(33)30-21(2)22-10-5-4-6-11-22)19-32(18-24)29(34)31-26-13-8-14-27(17-26)35-3/h4-15,17,21,24-25H,16,18-19H2,1-3H3,(H,30,33)(H,31,34)
InChIKeyFHQWCACLQGOCJX-UHFFFAOYSA-N
XLogP5.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
(3R,5S)-1-benzyl-5-(3-methylphenyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92996089
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
(3R,5R)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999274
(3R,5S)-3-N-(cyclopropylmethyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 92999273
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
(3S,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[(1R)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 129420900
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (CID 42865431) is 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is COc1cccc(NC(=O)N2CC(C(=O)NC(C)c3ccccc3)CC(c3cccc(C)c3)C2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is FHQWCACLQGOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-20-9-7-12-23(15-20)24-16-25(28(33)30-21(2)22-10-5-4-6-11-22)19-32(18-24)29(34)31-26-13-8-14-27(17-26)35-3/h4-15,17,21,24-25H,16,18-19H2,1-3H3,(H,30,33)(H,31,34).
What are the key properties of 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42865431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).