4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one

C15H17ClN2O2 — CID 110720798

IUPAC4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H17ClN2O2/c16-12-3-1-2-11(8-12)9-14(19)17-6-7-18(13-4-5-13)15(20)10-17/h1-3,8,13H,4-7,9-10H2
InChIKeyHPYNIKOYZGZWBN-UHFFFAOYSA-N
MW292.77 g/mol
LogP1.72
Rot. Bonds3

About 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one

4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one (PubChem CID 110720798) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
PubChem CID110720798
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C15H17ClN2O2/c16-12-3-1-2-11(8-12)9-14(19)17-6-7-18(13-4-5-13)15(20)10-17/h1-3,8,13H,4-7,9-10H2
InChIKeyHPYNIKOYZGZWBN-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
4-[2-(3-chlorophenyl)acetyl]piperazine-1-sulfonamide
CID 62505497
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
2-(3-chlorophenyl)-1-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759114
2-(3-chlorophenyl)-1-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 95759115
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
CID 77082700
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
1-cyclopropyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 110743361

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one?
The IUPAC name of 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one (CID 110720798) is 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one is O=C(Cc1cccc(Cl)c1)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one?
The InChIKey is HPYNIKOYZGZWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-3-1-2-11(8-12)9-14(19)17-6-7-18(13-4-5-13)15(20)10-17/h1-3,8,13H,4-7,9-10H2.
What are the key properties of 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one?
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one has a molecular weight of 292.77 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one is sourced from PubChem (CID 110720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).