5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one

C15H23N3O — CID 82193456

IUPAC5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
SMILESCC(C)CCN1C(=O)CCC(N)C1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-11(2)7-10-18-14(19)4-3-13(16)15(18)12-5-8-17-9-6-12/h5-6,8-9,11,13,15H,3-4,7,10,16H2,1-2H3
InChIKeyJWFGHJYLEKEWPV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds4

About 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one

5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one (PubChem CID 82193456) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
PubChem CID82193456
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
SMILESCC(C)CCN1C(=O)CCC(N)C1c1ccncc1
InChIInChI=1S/C15H23N3O/c1-11(2)7-10-18-14(19)4-3-13(16)15(18)12-5-8-17-9-6-12/h5-6,8-9,11,13,15H,3-4,7,10,16H2,1-2H3
InChIKeyJWFGHJYLEKEWPV-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(3-methoxyphenyl)-1-(3-methylbutyl)piperidin-2-one
CID 82193447
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
5-amino-6-(3-cyclopropylphenyl)-1-(2-methylpropyl)piperidin-2-one
CID 79973429
5-amino-6-[3-(difluoromethyl)phenyl]-1-(2-methoxyethyl)piperidin-2-one
CID 115529120
5-amino-1-(2-methoxyethyl)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 114554528
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481
4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 82193266
5-amino-6-(3-cyclopropylphenyl)-1-ethylpiperidin-2-one
CID 79978123
6-amino-7-(4-cyclopropylphenyl)-1-ethylazepan-2-one
CID 79978466
6-cyclopropyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64878730
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one?
The IUPAC name of 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one (CID 82193456) is 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one?
The canonical SMILES for 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one is CC(C)CCN1C(=O)CCC(N)C1c1ccncc1.
What is the InChIKey of 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one?
The InChIKey is JWFGHJYLEKEWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(2)7-10-18-14(19)4-3-13(16)15(18)12-5-8-17-9-6-12/h5-6,8-9,11,13,15H,3-4,7,10,16H2,1-2H3.
What are the key properties of 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one?
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one is sourced from PubChem (CID 82193456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).