9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

C19H24N6O2 — CID 162634523

IUPAC9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)CCn3cnnn3)C2=O)cc1
InChIInChI=1S/C19H24N6O2/c1-15-4-6-16(7-5-15)24-11-2-9-19(18(24)27)10-3-12-25(19)17(26)8-13-23-14-20-21-22-23/h4-7,14H,2-3,8-13H2,1H3
InChIKeyAJTWQUVHQKURBX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.56
Rot. Bonds4

About 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one

9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162634523) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162634523
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)CCn3cnnn3)C2=O)cc1
InChIInChI=1S/C19H24N6O2/c1-15-4-6-16(7-5-15)24-11-2-9-19(18(24)27)10-3-12-25(19)17(26)8-13-23-14-20-21-22-23/h4-7,14H,2-3,8-13H2,1H3
InChIKeyAJTWQUVHQKURBX-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626908
9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626511
1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313979
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
3-methyl-1-[3-(tetrazol-1-yl)propanoyl]piperidine-3-carbonitrile
CID 131924559
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
9-methyl-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633044
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629044
1-[2-[6-(4-methylphenoxy)-2-pyridinyl]pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 110270247

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162634523) is 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(N2CCCC3(CCCN3C(=O)CCn3cnnn3)C2=O)cc1.
What is the InChIKey of 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is AJTWQUVHQKURBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-15-4-6-16(7-5-15)24-11-2-9-19(18(24)27)10-3-12-25(19)17(26)8-13-23-14-20-21-22-23/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 368.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162634523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).