N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide

C13H24N2O4 — CID 122561315

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide
SMILESCOCC(CO)NC(=O)CCCN1CCCCC1=O
InChIInChI=1S/C13H24N2O4/c1-19-10-11(9-16)14-12(17)5-4-8-15-7-3-2-6-13(15)18/h11,16H,2-10H2,1H3,(H,14,17)
InChIKeyFULBJGVBKPIGPL-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.10
Rot. Bonds8

About N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide

N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 122561315) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID122561315
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide
SMILESCOCC(CO)NC(=O)CCCN1CCCCC1=O
InChIInChI=1S/C13H24N2O4/c1-19-10-11(9-16)14-12(17)5-4-8-15-7-3-2-6-13(15)18/h11,16H,2-10H2,1H3,(H,14,17)
InChIKeyFULBJGVBKPIGPL-UHFFFAOYSA-N
XLogP-0.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
CID 106159311
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131949482
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-(5-hydroxy-4-methylpentyl)pyrrolidin-2-one
CID 106159349
3-(2-oxopiperidin-1-yl)propyl 3-(methylamino)propanoate
CID 70824820
N'-(2-methoxyethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45497345
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide (CID 122561315) is N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide is COCC(CO)NC(=O)CCCN1CCCCC1=O.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is FULBJGVBKPIGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-19-10-11(9-16)14-12(17)5-4-8-15-7-3-2-6-13(15)18/h11,16H,2-10H2,1H3,(H,14,17).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 272.34 g/mol, XLogP of -0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 122561315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).