(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone

C16H19N3O — CID 79992741

IUPAC(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
SMILESCC1CC(N)CN(C(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H19N3O/c1-11-8-12(17)10-19(9-11)16(20)14-4-2-6-15-13(14)5-3-7-18-15/h2-7,11-12H,8-10,17H2,1H3
InChIKeyPWZPBSAVFXVXGQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone

(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone (PubChem CID 79992741) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
PubChem CID79992741
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone
SMILESCC1CC(N)CN(C(=O)c2cccc3ncccc23)C1
InChIInChI=1S/C16H19N3O/c1-11-8-12(17)10-19(9-11)16(20)14-4-2-6-15-13(14)5-3-7-18-15/h2-7,11-12H,8-10,17H2,1H3
InChIKeyPWZPBSAVFXVXGQ-UHFFFAOYSA-N
XLogP2.04
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-5-methylpiperidin-1-yl)-quinolin-8-ylmethanone
CID 79994421
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(3-amino-5-methylpiperidin-1-yl)-(2,3-difluorophenyl)methanone
CID 79993492
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
5-methyl-1-quinolin-5-ylsulfonylpiperidin-3-amine
CID 104774086
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
(3,5-dimethylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 62166241

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone (CID 79992741) is (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone is CC1CC(N)CN(C(=O)c2cccc3ncccc23)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone?
The InChIKey is PWZPBSAVFXVXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-8-12(17)10-19(9-11)16(20)14-4-2-6-15-13(14)5-3-7-18-15/h2-7,11-12H,8-10,17H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone?
(3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone has a molecular weight of 269.35 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 79992741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).