5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one

C17H26N2O2 — CID 82193447

IUPAC5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
SMILESCOc1cccc(C2C(N)CCC(=O)N2CCC(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)9-10-19-16(20)8-7-15(18)17(19)13-5-4-6-14(11-13)21-3/h4-6,11-12,15,17H,7-10,18H2,1-3H3
InChIKeyACDVOAFINAKUCV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds5

About 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one

5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one (PubChem CID 82193447) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
PubChem CID82193447
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
SMILESCOc1cccc(C2C(N)CCC(=O)N2CCC(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)9-10-19-16(20)8-7-15(18)17(19)13-5-4-6-14(11-13)21-3/h4-6,11-12,15,17H,7-10,18H2,1-3H3
InChIKeyACDVOAFINAKUCV-UHFFFAOYSA-N
XLogP2.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
CID 79973429
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-2-one
CID 110087715
4-(3-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546674
1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
CID 116978424
5-amino-6-(3-methoxy-4-propan-2-yloxyphenyl)-1-methylpiperidin-2-one
CID 82193322
5-amino-6-(2-chloro-6-methoxyphenyl)-1-propylpiperidin-2-one
CID 104818740
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one (CID 82193447) is 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one is COc1cccc(C2C(N)CCC(=O)N2CCC(C)C)c1.
What is the InChIKey of 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one?
The InChIKey is ACDVOAFINAKUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)9-10-19-16(20)8-7-15(18)17(19)13-5-4-6-14(11-13)21-3/h4-6,11-12,15,17H,7-10,18H2,1-3H3.
What are the key properties of 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one?
5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one has a molecular weight of 290.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one is sourced from PubChem (CID 82193447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).