(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide

C18H25N3O2 — CID 98701052

IUPAC(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESC[C@H]1CCc2ccccc2N1C(=O)CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H25N3O2/c1-13-9-10-14-6-2-3-7-15(14)21(13)17(22)12-20-11-5-4-8-16(20)18(19)23/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H2,19,23)/t13-,16-/m0/s1
InChIKeyVCNHXGJLXSRBIM-BBRMVZONSA-N
MW315.42 g/mol
LogP1.69
Rot. Bonds3

About (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide

(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 98701052) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
PubChem CID98701052
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide
SMILESC[C@H]1CCc2ccccc2N1C(=O)CN1CCCC[C@H]1C(N)=O
InChIInChI=1S/C18H25N3O2/c1-13-9-10-14-6-2-3-7-15(14)21(13)17(22)12-20-11-5-4-8-16(20)18(19)23/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H2,19,23)/t13-,16-/m0/s1
InChIKeyVCNHXGJLXSRBIM-BBRMVZONSA-N
XLogP1.69
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide 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

1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[3-methyl-4-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 55627224
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 163343391
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 120771508
3-chloro-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 36690377
1-phenacylpiperidine-2-carboxamide
CID 60681003
2-(4-benzylsulfonylpiperazin-1-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 38817011
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-pyrrolidin-1-ylethanone
CID 162353371
5-fluoro-1-[2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]pyridin-2-one
CID 99831437
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119925901
2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 95322875
1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55915644
2,2-dichloro-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 22328468

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide (CID 98701052) is (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide is C[C@H]1CCc2ccccc2N1C(=O)CN1CCCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is VCNHXGJLXSRBIM-BBRMVZONSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-9-10-14-6-2-3-7-15(14)21(13)17(22)12-20-11-5-4-8-16(20)18(19)23/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H2,19,23)/t13-,16-/m0/s1.
What are the key properties of (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide?
(2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 98701052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).