N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide

C22H26N4OS — CID 131897594

IUPACN-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CNC3CCCN(Cc4cccs4)C3)ccc2c1
InChIInChI=1S/C22H26N4OS/c1-16(27)24-18-8-9-22-17(12-18)6-7-19(25-22)13-23-20-4-2-10-26(14-20)15-21-5-3-11-28-21/h3,5-9,11-12,20,23H,2,4,10,13-15H2,1H3,(H,24,27)
InChIKeyZMFJPJHSQWHYSQ-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.01
Rot. Bonds6

About N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide

N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide (PubChem CID 131897594) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide
PubChem CID131897594
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC NameN-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(CNC3CCCN(Cc4cccs4)C3)ccc2c1
InChIInChI=1S/C22H26N4OS/c1-16(27)24-18-8-9-22-17(12-18)6-7-19(25-22)13-23-20-4-2-10-26(14-20)15-21-5-3-11-28-21/h3,5-9,11-12,20,23H,2,4,10,13-15H2,1H3,(H,24,27)
InChIKeyZMFJPJHSQWHYSQ-UHFFFAOYSA-N
XLogP4.01
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]benzoic acid
CID 131904569
1-(3-chloro-4-methoxyphenyl)-3-[1-(thiophen-2-ylmethyl)piperidin-3-yl]urea
CID 131892413
N-[2-[[(3R)-3-(4-methylsulfanylbenzoyl)piperidin-1-yl]methyl]quinolin-6-yl]acetamide
CID 42198097
5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
4-phenyl-N-[2-(pyrrolidin-1-ylmethyl)quinolin-6-yl]piperidine-1-carboxamide
CID 22340375
4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 72909192
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide (CID 131897594) is N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(CNC3CCCN(Cc4cccs4)C3)ccc2c1.
What is the InChIKey of N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide?
The InChIKey is ZMFJPJHSQWHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-16(27)24-18-8-9-22-17(12-18)6-7-19(25-22)13-23-20-4-2-10-26(14-20)15-21-5-3-11-28-21/h3,5-9,11-12,20,23H,2,4,10,13-15H2,1H3,(H,24,27).
What are the key properties of N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide?
N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide has a molecular weight of 394.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[1-(thiophen-2-ylmethyl)piperidin-3-yl]amino]methyl]quinolin-6-yl]acetamide is sourced from PubChem (CID 131897594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).