3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one

C16H19N3O2 — CID 124628242

IUPAC3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
SMILESN[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H19N3O2/c17-13-5-3-7-19(10-13)15(20)9-12-8-11-4-1-2-6-14(11)18-16(12)21/h1-2,4,6,8,13H,3,5,7,9-10,17H2,(H,18,21)/t13-/m0/s1
InChIKeyQYTMGGPCISNSAZ-ZDUSSCGKSA-N
MW285.35 g/mol
LogP1.02
Rot. Bonds2

About 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one

3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one (PubChem CID 124628242) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
PubChem CID124628242
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one
SMILESN[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1
InChIInChI=1S/C16H19N3O2/c17-13-5-3-7-19(10-13)15(20)9-12-8-11-4-1-2-6-14(11)18-16(12)21/h1-2,4,6,8,13H,3,5,7,9-10,17H2,(H,18,21)/t13-/m0/s1
InChIKeyQYTMGGPCISNSAZ-ZDUSSCGKSA-N
XLogP1.02
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-4-yl]acetamide
CID 56815967
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
4-hydroxy-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidine-4-carboxylic acid
CID 166224998
3-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]-1H-quinolin-2-one
CID 56817964
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
6-[2-(2-oxo-1H-quinolin-3-yl)acetyl]-6-azaspiro[4.5]decane-8-carboxylic acid
CID 154871809
3-[2-[3-(cyclopropylmethyl)morpholin-4-yl]-2-oxoethyl]-1H-quinolin-2-one
CID 136566373

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one (CID 124628242) is 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one is N[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1.
What is the InChIKey of 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one?
The InChIKey is QYTMGGPCISNSAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-13-5-3-7-19(10-13)15(20)9-12-8-11-4-1-2-6-14(11)18-16(12)21/h1-2,4,6,8,13H,3,5,7,9-10,17H2,(H,18,21)/t13-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one?
3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-1H-quinolin-2-one is sourced from PubChem (CID 124628242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).