(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone

C16H19N3O — CID 79868417

IUPAC(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccc3ccccc3n2)CCC1N
InChIInChI=1S/C16H19N3O/c1-11-10-19(9-8-13(11)17)16(20)15-7-6-12-4-2-3-5-14(12)18-15/h2-7,11,13H,8-10,17H2,1H3
InChIKeySSJXMYJKADPNGS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.04
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone

(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone (PubChem CID 79868417) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
PubChem CID79868417
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
SMILESCC1CN(C(=O)c2ccc3ccccc3n2)CCC1N
InChIInChI=1S/C16H19N3O/c1-11-10-19(9-8-13(11)17)16(20)15-7-6-12-4-2-3-5-14(12)18-15/h2-7,11,13H,8-10,17H2,1H3
InChIKeySSJXMYJKADPNGS-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

[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
methyl 2-[(3S)-1-(quinoline-2-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 99982564

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone (CID 79868417) is (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone is CC1CN(C(=O)c2ccc3ccccc3n2)CCC1N.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone?
The InChIKey is SSJXMYJKADPNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-10-19(9-8-13(11)17)16(20)15-7-6-12-4-2-3-5-14(12)18-15/h2-7,11,13H,8-10,17H2,1H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone?
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-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 (4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 79868417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).