5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one

C14H21N3O — CID 82193429

IUPAC5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccccn1
InChIInChI=1S/C14H21N3O/c1-2-3-10-17-13(18)8-7-11(15)14(17)12-6-4-5-9-16-12/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3
InChIKeyKKAJMTKVPVMWBE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.87
Rot. Bonds4

About 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one

5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one (PubChem CID 82193429) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
PubChem CID82193429
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
SMILESCCCCN1C(=O)CCC(N)C1c1ccccn1
InChIInChI=1S/C14H21N3O/c1-2-3-10-17-13(18)8-7-11(15)14(17)12-6-4-5-9-16-12/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3
InChIKeyKKAJMTKVPVMWBE-UHFFFAOYSA-N
XLogP1.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 82021519
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(5S,6S)-1-butyl-6-phenyl-5-phenylsulfanylpiperidin-2-one
CID 95091827
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
CID 82193210
4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82193209
5-amino-1-(3-methylbutyl)-6-pyridin-4-ylpiperidin-2-one
CID 82193456
(2S,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 40712321

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one?
The IUPAC name of 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one (CID 82193429) is 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one?
The canonical SMILES for 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one is CCCCN1C(=O)CCC(N)C1c1ccccn1.
What is the InChIKey of 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one?
The InChIKey is KKAJMTKVPVMWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-3-10-17-13(18)8-7-11(15)14(17)12-6-4-5-9-16-12/h4-6,9,11,14H,2-3,7-8,10,15H2,1H3.
What are the key properties of 5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one?
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.87, 4 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-pyridin-2-ylpiperidin-2-one is sourced from PubChem (CID 82193429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).