4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one

C19H20ClN3O2 — CID 119330494

IUPAC4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
SMILESNC(C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-16-8-6-14(7-9-16)12-22-10-11-23(13-17(22)24)19(25)18(21)15-4-2-1-3-5-15/h1-9,18H,10-13,21H2
InChIKeyULNWFQNRYQRSGE-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.21
Rot. Bonds4

About 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one

4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one (PubChem CID 119330494) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
PubChem CID119330494
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
SMILESNC(C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccccc1
InChIInChI=1S/C19H20ClN3O2/c20-16-8-6-14(7-9-16)12-22-10-11-23(13-17(22)24)19(25)18(21)15-4-2-1-3-5-15/h1-9,18H,10-13,21H2
InChIKeyULNWFQNRYQRSGE-UHFFFAOYSA-N
XLogP2.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119795947
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
2-amino-1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 119838939
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
4-(4-aminobutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 119330503
(2S)-2-amino-1-(4-benzylpiperazin-1-yl)-2-phenylethanone;dihydrochloride
CID 171689425
4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70782108
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
1-[(4-chlorophenyl)methyl]-4-[2-(2-methoxyethylamino)acetyl]piperazin-2-one;hydrochloride
CID 119795968
1-benzyl-4-buta-1,3-dien-2-ylpiperazin-2-one
CID 91113767
4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 70745152

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one (CID 119330494) is 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one is NC(C(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1)c1ccccc1.
What is the InChIKey of 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one?
The InChIKey is ULNWFQNRYQRSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-8-6-14(7-9-16)12-22-10-11-23(13-17(22)24)19(25)18(21)15-4-2-1-3-5-15/h1-9,18H,10-13,21H2.
What are the key properties of 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one?
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one has a molecular weight of 357.84 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one is sourced from PubChem (CID 119330494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).