2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C17H20N4O — CID 95736385

IUPAC2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C17H20N4O/c22-17(15-7-6-13-3-1-4-14(13)9-15)20-8-2-5-16(10-20)21-12-18-11-19-21/h6-7,9,11-12,16H,1-5,8,10H2/t16-/m1/s1
InChIKeyRQLCDERFAGWLLV-MRXNPFEDSA-N
MW296.37 g/mol
LogP2.24
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95736385) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID95736385
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](n2cncn2)C1
InChIInChI=1S/C17H20N4O/c22-17(15-7-6-13-3-1-4-14(13)9-15)20-8-2-5-16(10-20)21-12-18-11-19-21/h6-7,9,11-12,16H,1-5,8,10H2/t16-/m1/s1
InChIKeyRQLCDERFAGWLLV-MRXNPFEDSA-N
XLogP2.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methyl-4-nitrophenyl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 56826326
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302
2,3-dihydro-1H-inden-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422317
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736394
[(1S)-2,3-dihydro-1H-inden-1-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736781
(1-phenylcyclopropyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761368
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
(2-cyclopropylpyrimidin-4-yl)-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95767169
(2-methyl-5-methylsulfonylphenyl)-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95761382
[(3S)-3-hydroxypyrrolidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 79029502
(3R)-N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 124617527

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 95736385) is 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H](n2cncn2)C1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is RQLCDERFAGWLLV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(15-7-6-13-3-1-4-14(13)9-15)20-8-2-5-16(10-20)21-12-18-11-19-21/h6-7,9,11-12,16H,1-5,8,10H2/t16-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95736385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).