(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide

C28H31N3O2 — CID 99768177

IUPAC(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C28H31N3O2/c1-21(23-13-7-3-8-14-23)30-27(32)25-17-18-26(24-15-9-4-10-16-24)31(20-25)28(33)29-19-22-11-5-2-6-12-22/h2-16,21,25-26H,17-20H2,1H3,(H,29,33)(H,30,32)/t21-,25+,26-/m0/s1
InChIKeyOYYHRMLMOQQSLS-BYXVTNLJSA-N
MW441.58 g/mol
LogP5.23
Rot. Bonds6

About (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide

(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide (PubChem CID 99768177) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
PubChem CID99768177
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
SMILESC[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C28H31N3O2/c1-21(23-13-7-3-8-14-23)30-27(32)25-17-18-26(24-15-9-4-10-16-24)31(20-25)28(33)29-19-22-11-5-2-6-12-22/h2-16,21,25-26H,17-20H2,1H3,(H,29,33)(H,30,32)/t21-,25+,26-/m0/s1
InChIKeyOYYHRMLMOQQSLS-BYXVTNLJSA-N
XLogP5.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-phenylpiperidine-1,3-dicarboxamide
CID 46069441
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
N-benzyl-5-(morpholine-4-carbonyl)-2-phenylpiperidine-1-carboxamide
CID 42849581
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide (CID 99768177) is (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide is C[C@H](NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)NCc2ccccc2)C1)c1ccccc1.
What is the InChIKey of (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide?
The InChIKey is OYYHRMLMOQQSLS-BYXVTNLJSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21(23-13-7-3-8-14-23)30-27(32)25-17-18-26(24-15-9-4-10-16-24)31(20-25)28(33)29-19-22-11-5-2-6-12-22/h2-16,21,25-26H,17-20H2,1H3,(H,29,33)(H,30,32)/t21-,25+,26-/m0/s1.
What are the key properties of (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide?
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 99768177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).