(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide

C14H21N3O2S — CID 94111233

IUPAC(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CC(=O)N2CCC[C@@H](C(N)=O)C2)cs1
InChIInChI=1S/C14H21N3O2S/c1-9(2)14-16-11(8-20-14)6-12(18)17-5-3-4-10(7-17)13(15)19/h8-10H,3-7H2,1-2H3,(H2,15,19)/t10-/m1/s1
InChIKeyLOKUFTOMVRGZPG-SNVBAGLBSA-N
MW295.41 g/mol
LogP1.53
Rot. Bonds4

About (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide

(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide (PubChem CID 94111233) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
PubChem CID94111233
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESCC(C)c1nc(CC(=O)N2CCC[C@@H](C(N)=O)C2)cs1
InChIInChI=1S/C14H21N3O2S/c1-9(2)14-16-11(8-20-14)6-12(18)17-5-3-4-10(7-17)13(15)19/h8-10H,3-7H2,1-2H3,(H2,15,19)/t10-/m1/s1
InChIKeyLOKUFTOMVRGZPG-SNVBAGLBSA-N
XLogP1.53
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
(3R)-1-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 9395795
2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 82547847
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 111429992
(3S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxamide
CID 94176937
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323555
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
1-(3-aminopiperidin-1-yl)-2-(2-tert-butyl-1,3-thiazol-4-yl)ethanone
CID 119381807
2-(2-amino-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62797835
(6R)-1-methyl-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-1,4-diazepane-6-carboxamide
CID 124943372
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86866464

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide (CID 94111233) is (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide is CC(C)c1nc(CC(=O)N2CCC[C@@H](C(N)=O)C2)cs1.
What is the InChIKey of (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is LOKUFTOMVRGZPG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9(2)14-16-11(8-20-14)6-12(18)17-5-3-4-10(7-17)13(15)19/h8-10H,3-7H2,1-2H3,(H2,15,19)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide?
(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 94111233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).