2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide

C18H20ClN3O — CID 17433888

IUPAC2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O/c19-15-8-4-5-9-16(15)21-10-12-22(13-11-21)17(18(20)23)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,20,23)
InChIKeyVIQVCKGONTYQKW-UHFFFAOYSA-N
MW329.83 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide

2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 17433888) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID17433888
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H20ClN3O/c19-15-8-4-5-9-16(15)21-10-12-22(13-11-21)17(18(20)23)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,20,23)
InChIKeyVIQVCKGONTYQKW-UHFFFAOYSA-N
XLogP2.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
CID 47055802
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-fluorophenyl)-2-phenylacetamide
CID 32701204
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 60579372
1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 33401914
(2R)-2-phenyl-2-piperazin-1-ylacetamide
CID 28805503
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
3-[4-(2-chlorophenyl)piperazin-1-yl]butanoic acid
CID 43537419
4-(2-chlorophenyl)-1,4-diazepane-1-carboxylic acid
CID 134498265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide (CID 17433888) is 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide is NC(=O)C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is VIQVCKGONTYQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-15-8-4-5-9-16(15)21-10-12-22(13-11-21)17(18(20)23)14-6-2-1-3-7-14/h1-9,17H,10-13H2,(H2,20,23).
What are the key properties of 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide?
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 329.83 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 17433888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).