1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

C16H22N4O2S — CID 31134867

IUPAC1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESC[C@@H](O)c1cn(C2CCN(C(=O)CCc3ccsc3)CC2)nn1
InChIInChI=1S/C16H22N4O2S/c1-12(21)15-10-20(18-17-15)14-4-7-19(8-5-14)16(22)3-2-13-6-9-23-11-13/h6,9-12,14,21H,2-5,7-8H2,1H3/t12-/m1/s1
InChIKeyFRQUNZHTMPHUIA-GFCCVEGCSA-N
MW334.44 g/mol
LogP2.19
Rot. Bonds5

About 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one

1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (PubChem CID 31134867) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
PubChem CID31134867
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
SMILESC[C@@H](O)c1cn(C2CCN(C(=O)CCc3ccsc3)CC2)nn1
InChIInChI=1S/C16H22N4O2S/c1-12(21)15-10-20(18-17-15)14-4-7-19(8-5-14)16(22)3-2-13-6-9-23-11-13/h6,9-12,14,21H,2-5,7-8H2,1H3/t12-/m1/s1
InChIKeyFRQUNZHTMPHUIA-GFCCVEGCSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one with MolForge

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Related Compounds

(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95299250
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 154752193
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 95345615
(1S)-1-[1-(1-benzylsulfonylpiperidin-4-yl)triazol-4-yl]ethanol
CID 31003861
[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936775
[4-[4-[(1S)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 30936778
1-[1-[1-(3-methylbutyl)piperidin-4-yl]triazol-4-yl]ethanol
CID 45181874
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
CID 119173609
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 25474842

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The IUPAC name of 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one (CID 31134867) is 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The canonical SMILES for 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is C[C@@H](O)c1cn(C2CCN(C(=O)CCc3ccsc3)CC2)nn1.
What is the InChIKey of 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
The InChIKey is FRQUNZHTMPHUIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12(21)15-10-20(18-17-15)14-4-7-19(8-5-14)16(22)3-2-13-6-9-23-11-13/h6,9-12,14,21H,2-5,7-8H2,1H3/t12-/m1/s1.
What are the key properties of 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one?
1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one has a molecular weight of 334.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]piperidin-1-yl]-3-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 31134867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).