spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C22H23N5O — CID 74243754

IUPACspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C22H23N5O/c28-21(19-7-5-17(6-8-19)15-27-16-23-24-25-27)26-13-11-22(12-14-26)10-9-18-3-1-2-4-20(18)22/h1-8,16H,9-15H2
InChIKeyJCEXTKBULWMHCP-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.84
Rot. Bonds3

About spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone

spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 74243754) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Namespiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID74243754
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Namespiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C22H23N5O/c28-21(19-7-5-17(6-8-19)15-27-16-23-24-25-27)26-13-11-22(12-14-26)10-9-18-3-1-2-4-20(18)22/h1-8,16H,9-15H2
InChIKeyJCEXTKBULWMHCP-UHFFFAOYSA-N
XLogP2.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 56741927
9,9-dimethyl-3-[4-(tetrazol-1-ylmethyl)benzoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 138379907
(6-methyl-3-pyridinyl)-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97452662
7-(cyclopropylmethyl)-2-[4-(tetrazol-1-ylmethyl)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72919228
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 135088980
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 39781778
[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 155501472
[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 25306950
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905101

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 74243754) is spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cnnn2)cc1)N1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is JCEXTKBULWMHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c28-21(19-7-5-17(6-8-19)15-27-16-23-24-25-27)26-13-11-22(12-14-26)10-9-18-3-1-2-4-20(18)22/h1-8,16H,9-15H2.
What are the key properties of spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 373.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 74243754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).