(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone

C18H22N4O2 — CID 131658832

IUPAC(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ncn[nH]3)CC2)c2ccccc21
InChIInChI=1S/C18H22N4O2/c1-2-24-15-11-18(14-6-4-3-5-13(14)15)7-9-22(10-8-18)17(23)16-19-12-20-21-16/h3-6,12,15H,2,7-11H2,1H3,(H,19,20,21)
InChIKeyRDYPPGJTYZPVAC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.46
Rot. Bonds3

About (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone

(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 131658832) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID131658832
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCCOC1CC2(CCN(C(=O)c3ncn[nH]3)CC2)c2ccccc21
InChIInChI=1S/C18H22N4O2/c1-2-24-15-11-18(14-6-4-3-5-13(14)15)7-9-22(10-8-18)17(23)16-19-12-20-21-16/h3-6,12,15H,2,7-11H2,1H3,(H,19,20,21)
InChIKeyRDYPPGJTYZPVAC-UHFFFAOYSA-N
XLogP2.46
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 133135434
(1-ethoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-(1H-pyrrol-2-yl)methanone
CID 134073257
[(1S)-1-ethoxy-5-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
CID 97452679
3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-8-(1H-1,2,4-triazole-5-carbonyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 176503455
1-(1-ethoxy-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131687350
1-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 135037785
N,N-dimethyl-2-[1'-(pyridine-4-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131649138
3-methyl-1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63652775
1-(5-fluoro-1-prop-2-enoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 131651775
(4-benzylpiperazin-4-ium-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 4133383
(1-methoxyspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl)-pyridazin-4-ylmethanone
CID 134079364
N,N-diethyl-2-[1'-(1-methylpyrrole-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131661496

Frequently Asked Questions

What is the IUPAC name of (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 131658832) is (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone is CCOC1CC2(CCN(C(=O)c3ncn[nH]3)CC2)c2ccccc21.
What is the InChIKey of (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is RDYPPGJTYZPVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-24-15-11-18(14-6-4-3-5-13(14)15)7-9-22(10-8-18)17(23)16-19-12-20-21-16/h3-6,12,15H,2,7-11H2,1H3,(H,19,20,21).
What are the key properties of (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 131658832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).