N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide

C16H26N2O2S — CID 126436086

IUPACN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCO[C@H](CNC(=O)CCC1CCN(C)CC1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-18-9-7-13(8-10-18)5-6-16(19)17-12-14(20-2)15-4-3-11-21-15/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMXBLASBSLOIZRF-CQSZACIVSA-N
MW310.46 g/mol
LogP2.67
Rot. Bonds7

About N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide

N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide (PubChem CID 126436086) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide
PubChem CID126436086
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide
SMILESCO[C@H](CNC(=O)CCC1CCN(C)CC1)c1cccs1
InChIInChI=1S/C16H26N2O2S/c1-18-9-7-13(8-10-18)5-6-16(19)17-12-14(20-2)15-4-3-11-21-15/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1
InChIKeyMXBLASBSLOIZRF-CQSZACIVSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(1-methylpiperidin-4-yl)methylamino]-3-thiophen-2-ylpropanoate
CID 62657315
3-cyclopentyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598691
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-methoxy-2-thiophen-2-ylethyl)acetamide
CID 131913405
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
[4-[(2-methoxy-2-thiophen-2-ylethyl)amino]piperidin-1-yl]-phenylmethanone
CID 50951057
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
2-(4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 51179491
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-4-phenylbutanamide
CID 51728290
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097446
N-(2-methoxy-2-thiophen-2-ylethyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 50959243
N-[cyclopentyl(thiophen-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115888475
3-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]propanamide
CID 110622453

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide (CID 126436086) is N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide is CO[C@H](CNC(=O)CCC1CCN(C)CC1)c1cccs1.
What is the InChIKey of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is MXBLASBSLOIZRF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-18-9-7-13(8-10-18)5-6-16(19)17-12-14(20-2)15-4-3-11-21-15/h3-4,11,13-14H,5-10,12H2,1-2H3,(H,17,19)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide?
N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 310.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-thiophen-2-ylethyl]-3-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 126436086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).