2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C17H29N3O2S — CID 95340516

IUPAC2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H29N3O2S/c1-14(21)11-20-7-5-15(6-8-20)12-19(2)13-17(22)18-10-16-4-3-9-23-16/h3-4,9,14-15,21H,5-8,10-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyCUNSOSLTXHGTLT-CQSZACIVSA-N
MW339.51 g/mol
LogP1.39
Rot. Bonds8

About 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 95340516) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID95340516
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESC[C@@H](O)CN1CCC(CN(C)CC(=O)NCc2cccs2)CC1
InChIInChI=1S/C17H29N3O2S/c1-14(21)11-20-7-5-15(6-8-20)12-19(2)13-17(22)18-10-16-4-3-9-23-16/h3-4,9,14-15,21H,5-8,10-13H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyCUNSOSLTXHGTLT-CQSZACIVSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 95341234
2-[[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 111122241
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
N-(4-ethoxyphenyl)-2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]acetamide
CID 86895124
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
(2S)-2-[[1-(2-hydroxyethyl)piperidin-4-yl]methylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 95606770

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 95340516) is 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is C[C@@H](O)CN1CCC(CN(C)CC(=O)NCc2cccs2)CC1.
What is the InChIKey of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CUNSOSLTXHGTLT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-14(21)11-20-7-5-15(6-8-20)12-19(2)13-17(22)18-10-16-4-3-9-23-16/h3-4,9,14-15,21H,5-8,10-13H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.51 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 95340516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).