2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide

C21H30N4O — CID 133402186

IUPAC2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCCc1cc(N(C)CC2CCN(CC(=O)NC)CC2)c2ccccc2n1
InChIInChI=1S/C21H30N4O/c1-4-17-13-20(18-7-5-6-8-19(18)23-17)24(3)14-16-9-11-25(12-10-16)15-21(26)22-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3,(H,22,26)
InChIKeyCOCQWALMPDIPTH-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide

2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 133402186) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID133402186
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCCc1cc(N(C)CC2CCN(CC(=O)NC)CC2)c2ccccc2n1
InChIInChI=1S/C21H30N4O/c1-4-17-13-20(18-7-5-6-8-19(18)23-17)24(3)14-16-9-11-25(12-10-16)15-21(26)22-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3,(H,22,26)
InChIKeyCOCQWALMPDIPTH-UHFFFAOYSA-N
XLogP2.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 133401409
[4-[cyclohexylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63375839
N-methyl-2-[4-[[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]acetamide
CID 75381294
N-[3-[(2-ethylquinolin-4-yl)-methylamino]propyl]acetamide
CID 133401980
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]quinolin-2-yl]methanol
CID 79311164
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
4-[methyl-[3-(methylamino)-3-oxopropyl]amino]quinoline-2-carboxylic acid
CID 106916046
2-[4-[[2-hydroxybutyl(methyl)amino]methyl]piperidin-1-yl]-N-methylacetamide
CID 111437433
2-[4,10-bis[2-(methylamino)-2-oxoethyl]-7-[2-oxo-2-(phenanthridin-6-ylmethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-methylacetamide;terbium(4+)
CID 140636001
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-cyclopropyl-N-methyl-2-(methylaminomethyl)quinolin-4-amine
CID 55183416

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide (CID 133402186) is 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide is CCc1cc(N(C)CC2CCN(CC(=O)NC)CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is COCQWALMPDIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-17-13-20(18-7-5-6-8-19(18)23-17)24(3)14-16-9-11-25(12-10-16)15-21(26)22-2/h5-8,13,16H,4,9-12,14-15H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 354.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 133402186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).