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

C16H21ClN2O2 — CID 110873659

IUPAC1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H21ClN2O2/c1-16(2,3)19-9-8-18(11-15(19)21)14(20)10-12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyZAPZOOXXNHSTED-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.35
Rot. Bonds2

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

1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one (PubChem CID 110873659) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
PubChem CID110873659
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
SMILESCC(C)(C)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H21ClN2O2/c1-16(2,3)19-9-8-18(11-15(19)21)14(20)10-12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKeyZAPZOOXXNHSTED-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
CID 110867147
1-[2-(4-chlorophenyl)acetyl]pyrrolidin-3-one
CID 112536046
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
1-tert-butyl-4-(3-methylbutanoyl)piperazin-2-one
CID 110873631
N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 86996669
tert-butyl N-[2-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108567412
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
3-amino-1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119720809
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78806252
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one (CID 110873659) is 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one is CC(C)(C)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one?
The InChIKey is ZAPZOOXXNHSTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-16(2,3)19-9-8-18(11-15(19)21)14(20)10-12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one?
1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one has a molecular weight of 308.81 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 110873659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).