3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

C17H22ClN3O2 — CID 119518541

IUPAC3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-11(18)12-6-8-20(9-7-12)17(22)14-10-13-4-2-3-5-15(13)19-16(14)21;/h2-5,10-12H,6-9,18H2,1H3,(H,19,21);1H
InChIKeyZUNOOHHMAOLPTQ-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.15
Rot. Bonds2

About 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride

3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 119518541) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
PubChem CID119518541
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
SMILESCC(N)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.Cl
InChIInChI=1S/C17H21N3O2.ClH/c1-11(18)12-6-8-20(9-7-12)17(22)14-10-13-4-2-3-5-15(13)19-16(14)21;/h2-5,10-12H,6-9,18H2,1H3,(H,19,21);1H
InChIKeyZUNOOHHMAOLPTQ-UHFFFAOYSA-N
XLogP2.15
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119623243
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 57329601
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 16613531
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-[2-(difluoromethylsulfanyl)phenyl]methanone
CID 166307242
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
[4-(1-aminoethyl)piperidin-1-yl]-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]methanone
CID 119518607
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride (CID 119518541) is 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is CC(N)C1CCN(C(=O)c2cc3ccccc3[nH]c2=O)CC1.Cl.
What is the InChIKey of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is ZUNOOHHMAOLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c1-11(18)12-6-8-20(9-7-12)17(22)14-10-13-4-2-3-5-15(13)19-16(14)21;/h2-5,10-12H,6-9,18H2,1H3,(H,19,21);1H.
What are the key properties of 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride?
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119518541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).