1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one

C13H26N2O2 — CID 79267296

IUPAC1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(CO)C(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-4-7-14-11-6-5-8-15(13(11)17)12(9-16)10(2)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyKSCMSNVFFSKPJQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.99
Rot. Bonds6

About 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one

1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one (PubChem CID 79267296) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
PubChem CID79267296
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(C(CO)C(C)C)C1=O
InChIInChI=1S/C13H26N2O2/c1-4-7-14-11-6-5-8-15(13(11)17)12(9-16)10(2)3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyKSCMSNVFFSKPJQ-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one (CID 79267296) is 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(C(CO)C(C)C)C1=O.
What is the InChIKey of 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one?
The InChIKey is KSCMSNVFFSKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-7-14-11-6-5-8-15(13(11)17)12(9-16)10(2)3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one?
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one has a molecular weight of 242.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 79267296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).