[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate

C20H25N3O5 — CID 166220502

IUPAC[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESNC(=O)C1CCCCN1C(=O)COC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H25N3O5/c21-19(26)16-7-3-4-10-23(16)17(24)12-28-18(25)9-8-14-11-13-5-1-2-6-15(13)22-20(14)27/h1-2,5-6,14,16H,3-4,7-12H2,(H2,21,26)(H,22,27)
InChIKeyRMGODQFYGFOAKY-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.99
Rot. Bonds6

About [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate

[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (PubChem CID 166220502) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.

Molecular Properties

Compound Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
PubChem CID166220502
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESNC(=O)C1CCCCN1C(=O)COC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C20H25N3O5/c21-19(26)16-7-3-4-10-23(16)17(24)12-28-18(25)9-8-14-11-13-5-1-2-6-15(13)22-20(14)27/h1-2,5-6,14,16H,3-4,7-12H2,(H2,21,26)(H,22,27)
InChIKeyRMGODQFYGFOAKY-UHFFFAOYSA-N
XLogP0.99
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220494
(3S)-3-[3-oxo-3-[(2S)-2-[(1S)-2-oxocyclohexyl]azepan-1-yl]propyl]-3,4-dihydro-1H-quinolin-2-one
CID 124732266
cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038327
3-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 47048605
(3S)-3-[3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903723
(3S)-3-[3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 100903721
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 9200644
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 55890358
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 9019324
(3S)-1-[3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 124703211

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (CID 166220502) is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.
What is the SMILES notation for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The canonical SMILES for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is NC(=O)C1CCCCN1C(=O)COC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The InChIKey is RMGODQFYGFOAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c21-19(26)16-7-3-4-10-23(16)17(24)12-28-18(25)9-8-14-11-13-5-1-2-6-15(13)22-20(14)27/h1-2,5-6,14,16H,3-4,7-12H2,(H2,21,26)(H,22,27).
What are the key properties of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate has a molecular weight of 387.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is sourced from PubChem (CID 166220502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).