4-pentanoyl-3-propan-2-ylpiperazin-2-one

C12H22N2O2 — CID 110873304

IUPAC4-pentanoyl-3-propan-2-ylpiperazin-2-one
SMILESCCCCC(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-5-6-10(15)14-8-7-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyOLOZCUFJGRSUEJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds4

About 4-pentanoyl-3-propan-2-ylpiperazin-2-one

4-pentanoyl-3-propan-2-ylpiperazin-2-one (PubChem CID 110873304) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-pentanoyl-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-pentanoyl-3-propan-2-ylpiperazin-2-one
PubChem CID110873304
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-pentanoyl-3-propan-2-ylpiperazin-2-one
SMILESCCCCC(=O)N1CCNC(=O)C1C(C)C
InChIInChI=1S/C12H22N2O2/c1-4-5-6-10(15)14-8-7-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16)
InChIKeyOLOZCUFJGRSUEJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-5-[3-oxo-3-(3-oxo-2-propan-2-ylpiperazin-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 154859139
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 166249901
(3R)-4-[3-(2,5-difluorophenyl)propanoyl]-3-propan-2-ylpiperazin-2-one
CID 95324238
2-(1-octanoyl-3-oxopiperazin-2-yl)acetic acid
CID 62032428
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
CID 119951226
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
4-[2-(6-chloro-3-pyridinyl)acetyl]-3-propan-2-ylpiperazin-2-one
CID 71876682
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
3-methyl-4-[3-(propan-2-ylamino)propanoyl]piperazin-2-one
CID 63607417
(3R)-3-propan-2-yl-4-[2-(2,4,7-trimethyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97120229
4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868

Frequently Asked Questions

What is the IUPAC name of 4-pentanoyl-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-pentanoyl-3-propan-2-ylpiperazin-2-one (CID 110873304) is 4-pentanoyl-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-pentanoyl-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-pentanoyl-3-propan-2-ylpiperazin-2-one is CCCCC(=O)N1CCNC(=O)C1C(C)C.
What is the InChIKey of 4-pentanoyl-3-propan-2-ylpiperazin-2-one?
The InChIKey is OLOZCUFJGRSUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-6-10(15)14-8-7-13-12(16)11(14)9(2)3/h9,11H,4-8H2,1-3H3,(H,13,16).
What are the key properties of 4-pentanoyl-3-propan-2-ylpiperazin-2-one?
4-pentanoyl-3-propan-2-ylpiperazin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentanoyl-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110873304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).