1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one

C16H21ClN2O3 — CID 56709063

IUPAC1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
SMILESCCCCN1CCN(C(=O)C(O)c2ccccc2Cl)CC1=O
InChIInChI=1S/C16H21ClN2O3/c1-2-3-8-18-9-10-19(11-14(18)20)16(22)15(21)12-6-4-5-7-13(12)17/h4-7,15,21H,2-3,8-11H2,1H3
InChIKeyMSXMIWFLKGEMTB-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.84
Rot. Bonds5

About 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one

1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one (PubChem CID 56709063) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
PubChem CID56709063
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
SMILESCCCCN1CCN(C(=O)C(O)c2ccccc2Cl)CC1=O
InChIInChI=1S/C16H21ClN2O3/c1-2-3-8-18-9-10-19(11-14(18)20)16(22)15(21)12-6-4-5-7-13(12)17/h4-7,15,21H,2-3,8-11H2,1H3
InChIKeyMSXMIWFLKGEMTB-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one
CID 95211094
2-[(4-butyl-3-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70619630
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
1-butyl-4-[2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 72871012
1-butyl-4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperazin-2-one
CID 97123892
1-butyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-2-one
CID 56754721
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
tert-butyl 4-decyl-3-oxopiperazine-1-carboxylate
CID 70137747
4-(2-hydroxy-4-methylpentanoyl)-1-(2-phenylethyl)piperazin-2-one
CID 91786581
1-butyl-4-[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]piperazin-2-one
CID 97207249
(2R)-2-(2-chlorophenyl)-2-hydroxy-1-(7-methyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)ethanone
CID 99946553
1-butyl-4-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperazin-2-one
CID 70729133

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The IUPAC name of 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one (CID 56709063) is 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one.
What is the SMILES notation for 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The canonical SMILES for 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one is CCCCN1CCN(C(=O)C(O)c2ccccc2Cl)CC1=O.
What is the InChIKey of 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one?
The InChIKey is MSXMIWFLKGEMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-2-3-8-18-9-10-19(11-14(18)20)16(22)15(21)12-6-4-5-7-13(12)17/h4-7,15,21H,2-3,8-11H2,1H3.
What are the key properties of 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one?
1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one has a molecular weight of 324.81 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperazin-2-one is sourced from PubChem (CID 56709063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).