4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one

C17H21N3O2 — CID 124684521

IUPAC4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-16(21)19-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyBKPNVGGJWZYVQA-GFCCVEGCSA-N
MW299.37 g/mol
LogP1.60
Rot. Bonds3

About 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one

4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 124684521) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID124684521
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
SMILESCNC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-16(21)19-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyBKPNVGGJWZYVQA-GFCCVEGCSA-N
XLogP1.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124701897
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
N-(2-aminoethyl)-1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480900
4-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 94570308
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 47061013
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one (CID 124684521) is 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one is CNC[C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is BKPNVGGJWZYVQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-18-10-12-5-4-8-20(11-12)17(22)14-9-16(21)19-15-7-3-2-6-13(14)15/h2-3,6-7,9,12,18H,4-5,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one?
4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 299.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 124684521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).