5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one

C16H24N2O2 — CID 82193413

IUPAC5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccccc1OC
InChIInChI=1S/C16H24N2O2/c1-3-4-11-18-15(19)10-9-13(17)16(18)12-7-5-6-8-14(12)20-2/h5-8,13,16H,3-4,9-11,17H2,1-2H3
InChIKeyCNJVUNCLIACVFX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds5

About 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one

5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one (PubChem CID 82193413) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
PubChem CID82193413
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccccc1OC
InChIInChI=1S/C16H24N2O2/c1-3-4-11-18-15(19)10-9-13(17)16(18)12-7-5-6-8-14(12)20-2/h5-8,13,16H,3-4,9-11,17H2,1-2H3
InChIKeyCNJVUNCLIACVFX-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 55567142
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
CID 104818740
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 9138119
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-(1-phenylethyl)piperidine-3-carboxamide
CID 55406258

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one (CID 82193413) is 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one is CCCCN1C(=O)CCC(N)C1c1ccccc1OC.
What is the InChIKey of 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one?
The InChIKey is CNJVUNCLIACVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-11-18-15(19)10-9-13(17)16(18)12-7-5-6-8-14(12)20-2/h5-8,13,16H,3-4,9-11,17H2,1-2H3.
What are the key properties of 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one?
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 82193413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).