4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one

C15H24N2O3 — CID 122153522

IUPAC4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)CC1=CCOCC1
InChIInChI=1S/C15H24N2O3/c1-11(2)9-13-15(19)16-5-6-17(13)14(18)10-12-3-7-20-8-4-12/h3,11,13H,4-10H2,1-2H3,(H,16,19)
InChIKeySFONWIKWKURWAJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.10
Rot. Bonds4

About 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one

4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 122153522) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID122153522
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CC1C(=O)NCCN1C(=O)CC1=CCOCC1
InChIInChI=1S/C15H24N2O3/c1-11(2)9-13-15(19)16-5-6-17(13)14(18)10-12-3-7-20-8-4-12/h3,11,13H,4-10H2,1-2H3,(H,16,19)
InChIKeySFONWIKWKURWAJ-UHFFFAOYSA-N
XLogP1.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
CID 126816919
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122151740
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398
4-(3,4-dichloro-2-hydroxybenzoyl)-3-(2-methylpropyl)piperazin-2-one
CID 136534377
3-ethyl-4-[2-(2-methylphenyl)acetyl]piperazin-2-one
CID 63601493
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826139

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one (CID 122153522) is 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one is CC(C)CC1C(=O)NCCN1C(=O)CC1=CCOCC1.
What is the InChIKey of 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is SFONWIKWKURWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)9-13-15(19)16-5-6-17(13)14(18)10-12-3-7-20-8-4-12/h3,11,13H,4-10H2,1-2H3,(H,16,19).
What are the key properties of 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 280.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 122153522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).