1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid

C19H24N4O4S — CID 146147330

IUPAC1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(C1CCOC1)N1CCCC(Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1
InChIInChI=1S/C19H24N4O4S/c24-17(14-4-7-27-12-14)22-6-2-5-19(13-22,18(25)26)9-15-10-23(21-20-15)11-16-3-1-8-28-16/h1,3,8,10,14H,2,4-7,9,11-13H2,(H,25,26)
InChIKeyWCUSPAVBAPJJPG-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.66
Rot. Bonds6

About 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid

1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 146147330) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid
PubChem CID146147330
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(C1CCOC1)N1CCCC(Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1
InChIInChI=1S/C19H24N4O4S/c24-17(14-4-7-27-12-14)22-6-2-5-19(13-22,18(25)26)9-15-10-23(21-20-15)11-16-3-1-8-28-16/h1,3,8,10,14H,2,4-7,9,11-13H2,(H,25,26)
InChIKeyWCUSPAVBAPJJPG-UHFFFAOYSA-N
XLogP1.66
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(oxolane-3-carbonyl)-3-[[1-(2-phenylethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 146147329
1-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 137345310
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
(2S)-2-(oxolane-3-carbonylamino)-3-[4-[1-(thiophen-2-ylmethyl)triazol-4-yl]phenyl]propanoic acid
CID 146147326
2-[4-[2-cyclopropyl-3-[1-(thiophen-2-ylmethyl)triazol-4-yl]propanoyl]piperazin-1-yl]acetic acid
CID 146146830
3-[[1-(cyclopentylmethyl)triazol-4-yl]methyl]-1-[4-(cyclopropanecarbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 166326094
2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 137338425
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450456
N-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]cyclopropanamine
CID 66192447
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
(3R)-1-(cyclobutanecarbonyl)-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92569662

Frequently Asked Questions

What is the IUPAC name of 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid (CID 146147330) is 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid is O=C(C1CCOC1)N1CCCC(Cc2cn(Cc3cccs3)nn2)(C(=O)O)C1.
What is the InChIKey of 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is WCUSPAVBAPJJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c24-17(14-4-7-27-12-14)22-6-2-5-19(13-22,18(25)26)9-15-10-23(21-20-15)11-16-3-1-8-28-16/h1,3,8,10,14H,2,4-7,9,11-13H2,(H,25,26).
What are the key properties of 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid?
1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 404.49 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-3-carbonyl)-3-[[1-(thiophen-2-ylmethyl)triazol-4-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 146147330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).