2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H30N6O2 — CID 70740209

IUPAC2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)CCn3nnnc3C)C2)CCC1=O
InChIInChI=1S/C18H30N6O2/c1-3-4-10-22-13-18(9-6-16(22)25)8-5-11-23(14-18)17(26)7-12-24-15(2)19-20-21-24/h3-14H2,1-2H3
InChIKeyGHQCUUPJCWYVSR-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.40
Rot. Bonds6

About 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70740209) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70740209
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCN(C(=O)CCn3nnnc3C)C2)CCC1=O
InChIInChI=1S/C18H30N6O2/c1-3-4-10-22-13-18(9-6-16(22)25)8-5-11-23(14-18)17(26)7-12-24-15(2)19-20-21-24/h3-14H2,1-2H3
InChIKeyGHQCUUPJCWYVSR-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-2-butyl-8-(4-morpholin-4-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113092
2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72936910
8-[2-(5-aminotetrazol-1-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72906610
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
2-butyl-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755554
8-(3-imidazol-1-ylpropanoyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70732876
(6R)-2-(2-methoxyethyl)-8-[3-(4-methylpiperazin-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97130386
2-(2-methoxyethyl)-8-[4-(2-methylimidazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72889188
2-butyl-8-(5-propyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70735392
2-butyl-8-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72902306
(6S)-2-(2-methoxyethyl)-8-[2-(2-oxopyrrolidin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97150198
[2-[(6S)-2-(2-methoxyethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-oxoethyl]urea
CID 97117307

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70740209) is 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCN(C(=O)CCn3nnnc3C)C2)CCC1=O.
What is the InChIKey of 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is GHQCUUPJCWYVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-3-4-10-22-13-18(9-6-16(22)25)8-5-11-23(14-18)17(26)7-12-24-15(2)19-20-21-24/h3-14H2,1-2H3.
What are the key properties of 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.48 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70740209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).