2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide

C30H35N3O3 — CID 46069019

IUPAC2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C30H35N3O3/c1-22-13-14-27(30(35)31-17-7-11-23-8-4-3-5-9-23)29(32-22)25-15-18-33(19-16-25)28(34)21-24-10-6-12-26(20-24)36-2/h3-6,8-10,12-14,20,25H,7,11,15-19,21H2,1-2H3,(H,31,35)
InChIKeyOAMYDIKZAQYFKA-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.71
Rot. Bonds9

About 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide

2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 46069019) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID46069019
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)c1
InChIInChI=1S/C30H35N3O3/c1-22-13-14-27(30(35)31-17-7-11-23-8-4-3-5-9-23)29(32-22)25-15-18-33(19-16-25)28(34)21-24-10-6-12-26(20-24)36-2/h3-6,8-10,12-14,20,25H,7,11,15-19,21H2,1-2H3,(H,31,35)
InChIKeyOAMYDIKZAQYFKA-UHFFFAOYSA-N
XLogP4.71
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
N-[(3-methoxyphenyl)methyl]-6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068524
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868042
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42867402
6-methyl-2-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-N-(2-propoxyethyl)pyridine-3-carboxamide
CID 3761621
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46069014
N-[2-(1H-indol-3-yl)ethyl]-2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 4985140
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 46068597
2-(3-methoxyphenyl)-1-[4-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093130

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 46069019) is 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide is COc1cccc(CC(=O)N2CCC(c3nc(C)ccc3C(=O)NCCCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is OAMYDIKZAQYFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-22-13-14-27(30(35)31-17-7-11-23-8-4-3-5-9-23)29(32-22)25-15-18-33(19-16-25)28(34)21-24-10-6-12-26(20-24)36-2/h3-6,8-10,12-14,20,25H,7,11,15-19,21H2,1-2H3,(H,31,35).
What are the key properties of 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide?
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-6-methyl-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46069019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).