(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

C28H31N3O3 — CID 92995542

IUPAC(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2C[C@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C28H31N3O3/c1-34-26-14-8-13-25(18-26)30-28(33)31-19-23(22-11-6-3-7-12-22)17-24(20-31)27(32)29-16-15-21-9-4-2-5-10-21/h2-14,18,23-24H,15-17,19-20H2,1H3,(H,29,32)(H,30,33)/t23-,24+/m0/s1
InChIKeyPNTRPADBNWNYCN-BJKOFHAPSA-N
MW457.57 g/mol
LogP4.69
Rot. Bonds7

About (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide

(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 92995542) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID92995542
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(NC(=O)N2C[C@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C28H31N3O3/c1-34-26-14-8-13-25(18-26)30-28(33)31-19-23(22-11-6-3-7-12-22)17-24(20-31)27(32)29-16-15-21-9-4-2-5-10-21/h2-14,18,23-24H,15-17,19-20H2,1H3,(H,29,32)(H,30,33)/t23-,24+/m0/s1
InChIKeyPNTRPADBNWNYCN-BJKOFHAPSA-N
XLogP4.69
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
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
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
(3S,5S)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995242
(3R,5R)-1-(3-fluorobenzoyl)-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92995239
(2R)-1-N-(3-methoxyphenyl)-2-N-(2-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 1433427
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865431
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(3S,5S)-1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996208

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide (CID 92995542) is (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is COc1cccc(NC(=O)N2C[C@H](C(=O)NCCc3ccccc3)C[C@H](c3ccccc3)C2)c1.
What is the InChIKey of (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is PNTRPADBNWNYCN-BJKOFHAPSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-34-26-14-8-13-25(18-26)30-28(33)31-19-23(22-11-6-3-7-12-22)17-24(20-31)27(32)29-16-15-21-9-4-2-5-10-21/h2-14,18,23-24H,15-17,19-20H2,1H3,(H,29,32)(H,30,33)/t23-,24+/m0/s1.
What are the key properties of (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide?
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 457.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 92995542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).