N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide

C28H30N2O5 — CID 42868408

IUPACN-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)Nc3ccc(OC)cc3OC)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-23-11-9-20(10-12-23)28(32)30-17-21(19-7-5-4-6-8-19)15-22(18-30)27(31)29-25-14-13-24(34-2)16-26(25)35-3/h4-14,16,21-22H,15,17-18H2,1-3H3,(H,29,31)
InChIKeyHPJJPFLAIQBWOS-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.60
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42868408) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42868408
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)Nc3ccc(OC)cc3OC)CC(c3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O5/c1-33-23-11-9-20(10-12-23)28(32)30-17-21(19-7-5-4-6-8-19)15-22(18-30)27(31)29-25-14-13-24(34-2)16-26(25)35-3/h4-14,16,21-22H,15,17-18H2,1-3H3,(H,29,31)
InChIKeyHPJJPFLAIQBWOS-UHFFFAOYSA-N
XLogP4.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
CID 46069307
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
1-[4-[(3S,5S)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 92995270
(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
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide (CID 42868408) is N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CC(C(=O)Nc3ccc(OC)cc3OC)CC(c3ccccc3)C2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is HPJJPFLAIQBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-33-23-11-9-20(10-12-23)28(32)30-17-21(19-7-5-4-6-8-19)15-22(18-30)27(31)29-25-14-13-24(34-2)16-26(25)35-3/h4-14,16,21-22H,15,17-18H2,1-3H3,(H,29,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).