3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

C17H20N4O2 — CID 137204940

IUPAC3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1Cc2ccccc2C1)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c22-16(13-9-11-5-1-2-6-12(11)10-13)21-8-4-3-7-14(21)15-18-17(23)20-19-15/h1-2,5-6,13-14H,3-4,7-10H2,(H2,18,19,20,23)
InChIKeyZDJMKOUZNCKFFS-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.57
Rot. Bonds2

About 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137204940) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137204940
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=C(C1Cc2ccccc2C1)N1CCCCC1c1n[nH]c(=O)[nH]1
InChIInChI=1S/C17H20N4O2/c22-16(13-9-11-5-1-2-6-12(11)10-13)21-8-4-3-7-14(21)15-18-17(23)20-19-15/h1-2,5-6,13-14H,3-4,7-10H2,(H2,18,19,20,23)
InChIKeyZDJMKOUZNCKFFS-UHFFFAOYSA-N
XLogP1.57
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one with MolForge

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Related Compounds

3-[1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137208112
3-[1-(5-acetylthiophene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136548261
(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 137216218
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209357
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221
4-chloro-3-[(2S)-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]benzonitrile
CID 137175372
(2R)-1-(2,3-dihydro-1H-indene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 106892375
[2-(2-chloroethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894184
3-[(2R)-1-[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242367
2,3-dihydro-1H-inden-2-yl-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54377731
3-[(2S)-1-(3-chloro-5-methoxybenzoyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137175365
3-[(2S)-1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137242413

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 137204940) is 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is O=C(C1Cc2ccccc2C1)N1CCCCC1c1n[nH]c(=O)[nH]1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is ZDJMKOUZNCKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-16(13-9-11-5-1-2-6-12(11)10-13)21-8-4-3-7-14(21)15-18-17(23)20-19-15/h1-2,5-6,13-14H,3-4,7-10H2,(H2,18,19,20,23).
What are the key properties of 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 312.37 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-indene-2-carbonyl)piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137204940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).