(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide

C21H23N3OS — CID 95880650

IUPAC(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc2cc(CN3CCC[C@H](C(N)=O)C3)c(-c3cccs3)nc12
InChIInChI=1S/C21H23N3OS/c1-14-5-2-6-15-11-17(13-24-9-3-7-16(12-24)21(22)25)20(23-19(14)15)18-8-4-10-26-18/h2,4-6,8,10-11,16H,3,7,9,12-13H2,1H3,(H2,22,25)/t16-/m0/s1
InChIKeyAQIDBYPVDGKJMY-INIZCTEOSA-N
MW365.50 g/mol
LogP3.97
Rot. Bonds4

About (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide

(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 95880650) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide
PubChem CID95880650
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cccc2cc(CN3CCC[C@H](C(N)=O)C3)c(-c3cccs3)nc12
InChIInChI=1S/C21H23N3OS/c1-14-5-2-6-15-11-17(13-24-9-3-7-16(12-24)21(22)25)20(23-19(14)15)18-8-4-10-26-18/h2,4-6,8,10-11,16H,3,7,9,12-13H2,1H3,(H2,22,25)/t16-/m0/s1
InChIKeyAQIDBYPVDGKJMY-INIZCTEOSA-N
XLogP3.97
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-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-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 70781851
1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 45224577
N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
CID 26275669
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
(3R)-1-[[3-[[(3-methylthiophen-2-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552718
6-[(3-carbamoylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903916
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide (CID 95880650) is (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide is Cc1cccc2cc(CN3CCC[C@H](C(N)=O)C3)c(-c3cccs3)nc12.
What is the InChIKey of (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is AQIDBYPVDGKJMY-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-14-5-2-6-15-11-17(13-24-9-3-7-16(12-24)21(22)25)20(23-19(14)15)18-8-4-10-26-18/h2,4-6,8,10-11,16H,3,7,9,12-13H2,1H3,(H2,22,25)/t16-/m0/s1.
What are the key properties of (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide?
(3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95880650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).