6-(4-butoxybenzoyl)piperidin-2-one

C16H21NO3 — CID 54128984

IUPAC6-(4-butoxybenzoyl)piperidin-2-one
SMILESCCCCOc1ccc(C(=O)C2CCCC(=O)N2)cc1
InChIInChI=1S/C16H21NO3/c1-2-3-11-20-13-9-7-12(8-10-13)16(19)14-5-4-6-15(18)17-14/h7-10,14H,2-6,11H2,1H3,(H,17,18)
InChIKeyNSZFXNVCQQOQFH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.72
Rot. Bonds6

About 6-(4-butoxybenzoyl)piperidin-2-one

6-(4-butoxybenzoyl)piperidin-2-one (PubChem CID 54128984) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(4-butoxybenzoyl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-butoxybenzoyl)piperidin-2-one
PubChem CID54128984
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-(4-butoxybenzoyl)piperidin-2-one
SMILESCCCCOc1ccc(C(=O)C2CCCC(=O)N2)cc1
InChIInChI=1S/C16H21NO3/c1-2-3-11-20-13-9-7-12(8-10-13)16(19)14-5-4-6-15(18)17-14/h7-10,14H,2-6,11H2,1H3,(H,17,18)
InChIKeyNSZFXNVCQQOQFH-UHFFFAOYSA-N
XLogP2.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(4-butoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 7357024
6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
3-(4-propoxybenzoyl)cyclohexan-1-one
CID 79625101
4-decoxy-N-[(1R)-2-oxocyclopentyl]benzamide
CID 58413561
(4-butoxyphenyl)-(3-methylcyclohexyl)methanone
CID 105106502
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171
4-butoxy-N-cyclobutylbenzamide
CID 71449411
[4-[4-[3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propoxy]phenyl]phenyl]-pyrrolidin-2-ylmethanone
CID 101340899
6-(2-ethylbenzoyl)piperidin-2-one
CID 54106126
(2-aminocyclohexyl)-(4-propoxyphenyl)methanone
CID 116579889
2-cyclopentylidene-2-iodo-1-(4-pentoxyphenyl)ethanone
CID 71476215
4-hexoxybenzenecarbothioic S-acid
CID 54321336

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxybenzoyl)piperidin-2-one?
The IUPAC name of 6-(4-butoxybenzoyl)piperidin-2-one (CID 54128984) is 6-(4-butoxybenzoyl)piperidin-2-one.
What is the SMILES notation for 6-(4-butoxybenzoyl)piperidin-2-one?
The canonical SMILES for 6-(4-butoxybenzoyl)piperidin-2-one is CCCCOc1ccc(C(=O)C2CCCC(=O)N2)cc1.
What is the InChIKey of 6-(4-butoxybenzoyl)piperidin-2-one?
The InChIKey is NSZFXNVCQQOQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-3-11-20-13-9-7-12(8-10-13)16(19)14-5-4-6-15(18)17-14/h7-10,14H,2-6,11H2,1H3,(H,17,18).
What are the key properties of 6-(4-butoxybenzoyl)piperidin-2-one?
6-(4-butoxybenzoyl)piperidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxybenzoyl)piperidin-2-one is sourced from PubChem (CID 54128984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).