N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide

C22H26N4O2S — CID 91952299

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCCN(c3ccnc4ccc(OC)cc34)C2)cs1
InChIInChI=1S/C22H26N4O2S/c1-3-21-25-16(14-29-21)12-24-22(27)15-5-4-10-26(13-15)20-8-9-23-19-7-6-17(28-2)11-18(19)20/h6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,24,27)
InChIKeyGLBRZZYGZJFCLV-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.80
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide (PubChem CID 91952299) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide
PubChem CID91952299
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide
SMILESCCc1nc(CNC(=O)C2CCCN(c3ccnc4ccc(OC)cc34)C2)cs1
InChIInChI=1S/C22H26N4O2S/c1-3-21-25-16(14-29-21)12-24-22(27)15-5-4-10-26(13-15)20-8-9-23-19-7-6-17(28-2)11-18(19)20/h6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,24,27)
InChIKeyGLBRZZYGZJFCLV-UHFFFAOYSA-N
XLogP3.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methylquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 91952178
1-(6-methoxyquinolin-4-yl)-N-(4-pyrrol-1-ylphenyl)piperidine-3-carboxamide
CID 91952291
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92877210
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 90612068
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
(3R)-N-[(4-methoxyphenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117289

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide (CID 91952299) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide is CCc1nc(CNC(=O)C2CCCN(c3ccnc4ccc(OC)cc34)C2)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is GLBRZZYGZJFCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-3-21-25-16(14-29-21)12-24-22(27)15-5-4-10-26(13-15)20-8-9-23-19-7-6-17(28-2)11-18(19)20/h6-9,11,14-15H,3-5,10,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(6-methoxyquinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 91952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).