1-(3-methoxy-2-oxopropyl)piperidin-2-one

C9H15NO3 — CID 107507681

IUPAC1-(3-methoxy-2-oxopropyl)piperidin-2-one
SMILESCOCC(=O)CN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-8(11)6-10-5-3-2-4-9(10)12/h2-7H2,1H3
InChIKeyUTYQPPRMUCOVPN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.21
Rot. Bonds4

About 1-(3-methoxy-2-oxopropyl)piperidin-2-one

1-(3-methoxy-2-oxopropyl)piperidin-2-one (PubChem CID 107507681) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-(3-methoxy-2-oxopropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-methoxy-2-oxopropyl)piperidin-2-one
PubChem CID107507681
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-(3-methoxy-2-oxopropyl)piperidin-2-one
SMILESCOCC(=O)CN1CCCCC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-8(11)6-10-5-3-2-4-9(10)12/h2-7H2,1H3
InChIKeyUTYQPPRMUCOVPN-UHFFFAOYSA-N
XLogP0.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopiperidin-1-yl)acetate
CID 18981165
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
N-methyl-6-oxo-7-(2-oxopiperidin-1-yl)heptanamide
CID 167682160
1-(azocan-1-yl)-3-methoxypropan-2-one
CID 107507090
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
(3-methylcyclohexyl) 2-(2-oxoazocan-1-yl)acetate
CID 86997638
2-[(11Z)-2-oxo-1-azacyclohenicos-11-en-1-yl]acetic acid
CID 146568343
3-[2-(2-oxoazepan-1-yl)acetyl]oxypropyl 2-(2-oxoazepan-1-yl)acetate
CID 55401507
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 72865270
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-oxopropyl)piperidin-2-one?
The IUPAC name of 1-(3-methoxy-2-oxopropyl)piperidin-2-one (CID 107507681) is 1-(3-methoxy-2-oxopropyl)piperidin-2-one.
What is the SMILES notation for 1-(3-methoxy-2-oxopropyl)piperidin-2-one?
The canonical SMILES for 1-(3-methoxy-2-oxopropyl)piperidin-2-one is COCC(=O)CN1CCCCC1=O.
What is the InChIKey of 1-(3-methoxy-2-oxopropyl)piperidin-2-one?
The InChIKey is UTYQPPRMUCOVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-7-8(11)6-10-5-3-2-4-9(10)12/h2-7H2,1H3.
What are the key properties of 1-(3-methoxy-2-oxopropyl)piperidin-2-one?
1-(3-methoxy-2-oxopropyl)piperidin-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-oxopropyl)piperidin-2-one is sourced from PubChem (CID 107507681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).