N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide

C20H20Cl2N2O2 — CID 108551233

IUPACN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-7-6-15(13-18(17)22)20(26)24-10-8-16(9-11-24)23-19(25)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,23,25)
InChIKeyXCRPIZJCSMJOMQ-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.96
Rot. Bonds4

About N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide (PubChem CID 108551233) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
PubChem CID108551233
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-17-7-6-15(13-18(17)22)20(26)24-10-8-16(9-11-24)23-19(25)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,23,25)
InChIKeyXCRPIZJCSMJOMQ-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551288
3-cyclohexyl-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]propanamide
CID 108555654
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide (CID 108551233) is N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide?
The InChIKey is XCRPIZJCSMJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-17-7-6-15(13-18(17)22)20(26)24-10-8-16(9-11-24)23-19(25)12-14-4-2-1-3-5-14/h1-7,13,16H,8-12H2,(H,23,25).
What are the key properties of N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide?
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide has a molecular weight of 391.30 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 108551233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).