4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C15H22N2O3 — CID 107358342

IUPAC4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(O)CC1CCCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)9-13-5-3-4-7-17(13)15(20)12-6-8-16(2)14(19)10-12/h6,8,10-11,13,18H,3-5,7,9H2,1-2H3
InChIKeyPXTTVMDFHBKJKH-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds3

About 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 107358342) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID107358342
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(O)CC1CCCCN1C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C15H22N2O3/c1-11(18)9-13-5-3-4-7-17(13)15(20)12-6-8-16(2)14(19)10-12/h6,8,10-11,13,18H,3-5,7,9H2,1-2H3
InChIKeyPXTTVMDFHBKJKH-UHFFFAOYSA-N
XLogP1.15
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 107358342) is 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CC(O)CC1CCCCN1C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is PXTTVMDFHBKJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(18)9-13-5-3-4-7-17(13)15(20)12-6-8-16(2)14(19)10-12/h6,8,10-11,13,18H,3-5,7,9H2,1-2H3.
What are the key properties of 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxypropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 107358342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).