2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one

C14H22N2OS — CID 119492236

IUPAC2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCNC1CCCN(C(=O)C(C)(C)c2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-14(2,12-7-5-9-18-12)13(17)16-8-4-6-11(10-16)15-3/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyQIBMRKGDYCCTMB-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one

2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one (PubChem CID 119492236) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
PubChem CID119492236
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
SMILESCNC1CCCN(C(=O)C(C)(C)c2cccs2)C1
InChIInChI=1S/C14H22N2OS/c1-14(2,12-7-5-9-18-12)13(17)16-8-4-6-11(10-16)15-3/h5,7,9,11,15H,4,6,8,10H2,1-3H3
InChIKeyQIBMRKGDYCCTMB-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(methylamino)piperidin-1-yl]-thiophen-2-ylmethanone
CID 94475795
(3S)-1-(2-methyl-2-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 124682168
ethyl 1-(2-methyl-2-thiophen-2-ylpropanoyl)piperidine-3-carboxylate
CID 110698415
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
2-(3-chlorophenyl)-2-methyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488068
1-(1,4-diazepan-1-yl)-2-methyl-2-thiophen-2-ylpropan-1-one;hydrochloride
CID 119417566
1-[3-(methylamino)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119487436
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
(3aS,6aR)-2-(2-methyl-2-thiophen-2-ylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683857
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one (CID 119492236) is 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one is CNC1CCCN(C(=O)C(C)(C)c2cccs2)C1.
What is the InChIKey of 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
The InChIKey is QIBMRKGDYCCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-14(2,12-7-5-9-18-12)13(17)16-8-4-6-11(10-16)15-3/h5,7,9,11,15H,4,6,8,10H2,1-3H3.
What are the key properties of 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one?
2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(methylamino)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 119492236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).