N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

C21H23ClN2O3 — CID 108556948

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15-5-7-19(8-6-15)27-14-20(25)23-18-9-11-24(12-10-18)21(26)16-3-2-4-17(22)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,25)
InChIKeyBHVJPHOVJUSYMQ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.45
Rot. Bonds5

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 108556948) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
PubChem CID108556948
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H23ClN2O3/c1-15-5-7-19(8-6-15)27-14-20(25)23-18-9-11-24(12-10-18)21(26)16-3-2-4-17(22)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,25)
InChIKeyBHVJPHOVJUSYMQ-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide 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-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 171154720
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
2-(4-chlorophenoxy)-N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108561475
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (CID 108556948) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is BHVJPHOVJUSYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-15-5-7-19(8-6-15)27-14-20(25)23-18-9-11-24(12-10-18)21(26)16-3-2-4-17(22)13-16/h2-8,13,18H,9-12,14H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 386.88 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 108556948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).