1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one

C18H23N5O2 — CID 56894938

IUPAC1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(CCCn1cnnn1)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23N5O2/c24-16-12-14-4-1-2-5-15(14)18(16)7-10-22(11-8-18)17(25)6-3-9-23-13-19-20-21-23/h1-2,4-5,13,16,24H,3,6-12H2
InChIKeyCNFIHHHIEXKRQL-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.93
Rot. Bonds4

About 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one

1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one (PubChem CID 56894938) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
PubChem CID56894938
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one
SMILESO=C(CCCn1cnnn1)N1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H23N5O2/c24-16-12-14-4-1-2-5-15(14)18(16)7-10-22(11-8-18)17(25)6-3-9-23-13-19-20-21-23/h1-2,4-5,13,16,24H,3,6-12H2
InChIKeyCNFIHHHIEXKRQL-UHFFFAOYSA-N
XLogP0.93
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1-methylpyrrol-2-yl)propan-1-one
CID 95726493
(E)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)pent-3-en-1-one
CID 56889620
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 74249946
2-(2-ethylimidazol-1-yl)-1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 56895286
7-methyl-3-[4-(tetrazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 119071322
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 95726170
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(5-propyl-1,2-oxazol-4-yl)methanone
CID 95723009
[(2S)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 95730053
6-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 72920747
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 74243754
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one?
The IUPAC name of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one (CID 56894938) is 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one?
The canonical SMILES for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one is O=C(CCCn1cnnn1)N1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one?
The InChIKey is CNFIHHHIEXKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-16-12-14-4-1-2-5-15(14)18(16)7-10-22(11-8-18)17(25)6-3-9-23-13-19-20-21-23/h1-2,4-5,13,16,24H,3,6-12H2.
What are the key properties of 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one?
1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one has a molecular weight of 341.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)-4-(tetrazol-1-yl)butan-1-one is sourced from PubChem (CID 56894938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).