1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone

C17H27N3OS — CID 71923329

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
SMILESCC1CC(C)CN(C(=O)CNC2(c3nccs3)CCCC2)C1
InChIInChI=1S/C17H27N3OS/c1-13-9-14(2)12-20(11-13)15(21)10-19-17(5-3-4-6-17)16-18-7-8-22-16/h7-8,13-14,19H,3-6,9-12H2,1-2H3
InChIKeyCNIGQKRWBCLRBY-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.01
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone (PubChem CID 71923329) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
PubChem CID71923329
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
SMILESCC1CC(C)CN(C(=O)CNC2(c3nccs3)CCCC2)C1
InChIInChI=1S/C17H27N3OS/c1-13-9-14(2)12-20(11-13)15(21)10-19-17(5-3-4-6-17)16-18-7-8-22-16/h7-8,13-14,19H,3-6,9-12H2,1-2H3
InChIKeyCNIGQKRWBCLRBY-UHFFFAOYSA-N
XLogP3.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone with MolForge

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Related Compounds

1-[1-(Cyclopentylmethyl)piperidin-4-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 56781501
1-Morpholin-4-yl-3-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]propan-1-one
CID 71866169
N-propan-2-yl-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
2-[Cyclopropyl(methyl)amino]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72122391
1-[2-Oxo-2-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-diazinan-2-one
CID 72138586
Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
N-[[1-(cyclohexylmethyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]-2,2-dimethylpropanamide
CID 110234598
2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71983373
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
2,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 72002932

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone (CID 71923329) is 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone is CC1CC(C)CN(C(=O)CNC2(c3nccs3)CCCC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone?
The InChIKey is CNIGQKRWBCLRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-13-9-14(2)12-20(11-13)15(21)10-19-17(5-3-4-6-17)16-18-7-8-22-16/h7-8,13-14,19H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone has a molecular weight of 321.49 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 71923329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).