[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

C18H26N2O2S — CID 27261466

IUPAC[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1
InChIInChI=1S/C18H26N2O2S/c1-13-10-14(2)12-20(11-13)17(21)15-5-7-19(8-6-15)18(22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKECKUBGDJOPNAC-ZIAGYGMSSA-N
MW334.48 g/mol
LogP3.10
Rot. Bonds2

About [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 27261466) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
PubChem CID27261466
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC Name[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1
InChIInChI=1S/C18H26N2O2S/c1-13-10-14(2)12-20(11-13)17(21)15-5-7-19(8-6-15)18(22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m1/s1
InChIKeyKECKUBGDJOPNAC-ZIAGYGMSSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 8732831
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
[4-(4-hydroxyphenyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 51327495
2-methyl-2-phenyl-1-[4-[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 39998005
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
[(2R)-2-ethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27244606
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone (CID 27261466) is [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is C[C@@H]1C[C@@H](C)CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is KECKUBGDJOPNAC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-13-10-14(2)12-20(11-13)17(21)15-5-7-19(8-6-15)18(22)16-4-3-9-23-16/h3-4,9,13-15H,5-8,10-12H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone?
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 334.48 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 27261466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).