1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone

C14H23N3OS — CID 95901357

IUPAC1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
SMILESCC[C@@](C)(NCC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C14H23N3OS/c1-3-14(2,13-15-7-10-19-13)16-11-12(18)17-8-5-4-6-9-17/h7,10,16H,3-6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyJJMZAQUQMDHFON-CQSZACIVSA-N
MW281.42 g/mol
LogP2.37
Rot. Bonds5

About 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone

1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone (PubChem CID 95901357) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
PubChem CID95901357
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
SMILESCC[C@@](C)(NCC(=O)N1CCCCC1)c1nccs1
InChIInChI=1S/C14H23N3OS/c1-3-14(2,13-15-7-10-19-13)16-11-12(18)17-8-5-4-6-9-17/h7,10,16H,3-6,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyJJMZAQUQMDHFON-CQSZACIVSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone with MolForge

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Related Compounds

tert-butyl (2S)-2-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 56783013
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
N-(ethylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71986715
2-[[cyclopropyl(1,3-thiazol-2-yl)methyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71990369
N-(methylcarbamoyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 72114766
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
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
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
1-(3,5-Dimethylpiperidin-1-yl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanone
CID 71923329

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone (CID 95901357) is 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone is CC[C@@](C)(NCC(=O)N1CCCCC1)c1nccs1.
What is the InChIKey of 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
The InChIKey is JJMZAQUQMDHFON-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-14(2,13-15-7-10-19-13)16-11-12(18)17-8-5-4-6-9-17/h7,10,16H,3-6,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone?
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone has a molecular weight of 281.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone is sourced from PubChem (CID 95901357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).