3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

C12H19N3O2S — CID 111439100

IUPAC3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(O)C1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-2-10(11-13-5-7-18-11)14-12(17)15-6-3-4-9(16)8-15/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,14,17)
InChIKeyQMTBNNXBERSPCD-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.76
Rot. Bonds3

About 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide

3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (PubChem CID 111439100) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
PubChem CID111439100
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC(O)C1)c1nccs1
InChIInChI=1S/C12H19N3O2S/c1-2-10(11-13-5-7-18-11)14-12(17)15-6-3-4-9(16)8-15/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,14,17)
InChIKeyQMTBNNXBERSPCD-UHFFFAOYSA-N
XLogP1.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
4-methyl-1-[1-(1,3-thiazol-2-yl)propylcarbamoyl]piperidine-3-carboxylic acid
CID 154762701
(3S)-3-(4-methylpyrazol-1-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596974
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 124596949
4-(2,2-difluoroethyl)-3-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 75437484
5,8-difluoro-N-[1-(1,3-thiazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922981
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
(3S)-3-pyridin-3-yloxy-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 97096563
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
CID 72871127
4-[(1-methylimidazol-2-yl)methyl]-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
CID 124596959

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide (CID 111439100) is 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is CCC(NC(=O)N1CCCC(O)C1)c1nccs1.
What is the InChIKey of 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
The InChIKey is QMTBNNXBERSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-10(11-13-5-7-18-11)14-12(17)15-6-3-4-9(16)8-15/h5,7,9-10,16H,2-4,6,8H2,1H3,(H,14,17).
What are the key properties of 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide?
3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 111439100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).