N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide

C23H28N2O3 — CID 108549926

IUPACN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-4-7-19(14-17(16)2)23(27)25-12-10-20(11-13-25)24-22(26)15-18-5-8-21(28-3)9-6-18/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyJIXRHHPILSKXPC-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide

N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 108549926) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID108549926
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16-4-7-19(14-17(16)2)23(27)25-12-10-20(11-13-25)24-22(26)15-18-5-8-21(28-3)9-6-18/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,26)
InChIKeyJIXRHHPILSKXPC-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552968
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
2-(4-methoxyphenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108549910
2-(4-methoxyphenyl)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108549864
N-[2-[[1-(3,4-dimethylbenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108550471
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide (CID 108549926) is N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cc1.
What is the InChIKey of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JIXRHHPILSKXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-4-7-19(14-17(16)2)23(27)25-12-10-20(11-13-25)24-22(26)15-18-5-8-21(28-3)9-6-18/h4-9,14,20H,10-13,15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide?
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 108549926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).