N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

C21H24N4OS — CID 110215571

IUPACN-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C21H24N4OS/c1-15(26)24-20(21-23-10-12-27-21)18-8-4-11-25(14-18)13-17-6-2-5-16-7-3-9-22-19(16)17/h2-3,5-7,9-10,12,18,20H,4,8,11,13-14H2,1H3,(H,24,26)
InChIKeySHSIGWCZXIHBGH-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.78
Rot. Bonds5

About N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide

N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110215571) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110215571
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(=O)NC(c1nccs1)C1CCCN(Cc2cccc3cccnc23)C1
InChIInChI=1S/C21H24N4OS/c1-15(26)24-20(21-23-10-12-27-21)18-8-4-11-25(14-18)13-17-6-2-5-16-7-3-9-22-19(16)17/h2-3,5-7,9-10,12,18,20H,4,8,11,13-14H2,1H3,(H,24,26)
InChIKeySHSIGWCZXIHBGH-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide 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

N-[[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215566
N-[(S)-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]-2-methylpropanamide
CID 95802183
N-[[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215583
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
N-[[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 110215615
N-[[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]cyclopropanecarboxamide
CID 110215598
N-[[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110243763
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
N-[(S)-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 92574131
N-[(S)-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 93239140
N-[(S)-[(3R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]benzamide
CID 95802225

Frequently Asked Questions

What is the IUPAC name of N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide (CID 110215571) is N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is CC(=O)NC(c1nccs1)C1CCCN(Cc2cccc3cccnc23)C1.
What is the InChIKey of N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is SHSIGWCZXIHBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15(26)24-20(21-23-10-12-27-21)18-8-4-11-25(14-18)13-17-6-2-5-16-7-3-9-22-19(16)17/h2-3,5-7,9-10,12,18,20H,4,8,11,13-14H2,1H3,(H,24,26).
What are the key properties of N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide?
N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(quinolin-8-ylmethyl)piperidin-3-yl]-(1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110215571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).