(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide

C28H38N2O5 — CID 95087546

IUPAC(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OCC)c1OCC
InChIInChI=1S/C28H38N2O5/c1-6-33-23-16-22(17-24(34-7-2)25(23)35-8-3)26(31)30-15-9-14-28(5,19-30)27(32)29-18-21-12-10-20(4)11-13-21/h10-13,16-17H,6-9,14-15,18-19H2,1-5H3,(H,29,32)/t28-/m0/s1
InChIKeyZZXXEWOVCDTIBU-NDEPHWFRSA-N
MW482.62 g/mol
LogP4.75
Rot. Bonds10

About (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide

(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide (PubChem CID 95087546) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
PubChem CID95087546
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC Name(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCC[C@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OCC)c1OCC
InChIInChI=1S/C28H38N2O5/c1-6-33-23-16-22(17-24(34-7-2)25(23)35-8-3)26(31)30-15-9-14-28(5,19-30)27(32)29-18-21-12-10-20(4)11-13-21/h10-13,16-17H,6-9,14-15,18-19H2,1-5H3,(H,29,32)/t28-/m0/s1
InChIKeyZZXXEWOVCDTIBU-NDEPHWFRSA-N
XLogP4.75
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
1-(3-methoxybenzoyl)-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117125
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030
(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
CID 95088017
1-N-(3-ethoxypropyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53011210
(3S)-1-(2-ethoxybenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087666
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide (CID 95087546) is (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide is CCOc1cc(C(=O)N2CCC[C@](C)(C(=O)NCc3ccc(C)cc3)C2)cc(OCC)c1OCC.
What is the InChIKey of (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide?
The InChIKey is ZZXXEWOVCDTIBU-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-6-33-23-16-22(17-24(34-7-2)25(23)35-8-3)26(31)30-15-9-14-28(5,19-30)27(32)29-18-21-12-10-20(4)11-13-21/h10-13,16-17H,6-9,14-15,18-19H2,1-5H3,(H,29,32)/t28-/m0/s1.
What are the key properties of (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide?
(3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide has a molecular weight of 482.62 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-N-[(4-methylphenyl)methyl]-1-(3,4,5-triethoxybenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 95087546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).