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

C22H25ClN2O3 — CID 108552807

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C22H25ClN2O3/c1-15-5-3-8-20(16(15)2)28-14-21(26)24-19-9-11-25(12-10-19)22(27)17-6-4-7-18(23)13-17/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyABPBGNKIAHLCHY-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.76
Rot. Bonds5

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

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 108552807) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
PubChem CID108552807
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C22H25ClN2O3/c1-15-5-3-8-20(16(15)2)28-14-21(26)24-19-9-11-25(12-10-19)22(27)17-6-4-7-18(23)13-17/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,26)
InChIKeyABPBGNKIAHLCHY-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552814
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 108560809
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
2,5-dichloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554594
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 108552749
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide (CID 108552807) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide is Cc1cccc(OCC(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)c1C.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is ABPBGNKIAHLCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-15-5-3-8-20(16(15)2)28-14-21(26)24-19-9-11-25(12-10-19)22(27)17-6-4-7-18(23)13-17/h3-8,13,19H,9-12,14H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 400.91 g/mol, XLogP of 3.76, 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-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 108552807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).