(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide

C24H30N2O5 — CID 92994853

IUPAC(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C24H30N2O5/c1-29-12-11-25-23(27)20-13-19(17-7-5-4-6-8-17)15-26(16-20)24(28)18-9-10-21(30-2)22(14-18)31-3/h4-10,14,19-20H,11-13,15-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyZRRGMAXWFPTGAY-WOJBJXKFSA-N
MW426.51 g/mol
LogP2.71
Rot. Bonds8

About (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide

(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994853) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994853
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C24H30N2O5/c1-29-12-11-25-23(27)20-13-19(17-7-5-4-6-8-17)15-26(16-20)24(28)18-9-10-21(30-2)22(14-18)31-3/h4-10,14,19-20H,11-13,15-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyZRRGMAXWFPTGAY-WOJBJXKFSA-N
XLogP2.71
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
1-[4-[(3S,5S)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 92995270
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
(3S,5R)-5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 92994964
5-(4-ethylphenyl)-1-(4-fluorobenzoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 46065084
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
(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
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide (CID 92994853) is (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide is COCCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is ZRRGMAXWFPTGAY-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-29-12-11-25-23(27)20-13-19(17-7-5-4-6-8-17)15-26(16-20)24(28)18-9-10-21(30-2)22(14-18)31-3/h4-10,14,19-20H,11-13,15-16H2,1-3H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide?
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 426.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).