1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone

C19H30N6O2 — CID 167968288

IUPAC1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1CC(C)C1C(=O)N1CCCC2(CCN(C(=O)Cn3cnnn3)CC2)C1
InChIInChI=1S/C19H30N6O2/c1-14-10-15(2)17(14)18(27)24-7-3-4-19(12-24)5-8-23(9-6-19)16(26)11-25-13-20-21-22-25/h13-15,17H,3-12H2,1-2H3
InChIKeyMQVBXMPFPGRQQX-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.20
Rot. Bonds3

About 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone

1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 167968288) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID167968288
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
SMILESCC1CC(C)C1C(=O)N1CCCC2(CCN(C(=O)Cn3cnnn3)CC2)C1
InChIInChI=1S/C19H30N6O2/c1-14-10-15(2)17(14)18(27)24-7-3-4-19(12-24)5-8-23(9-6-19)16(26)11-25-13-20-21-22-25/h13-15,17H,3-12H2,1-2H3
InChIKeyMQVBXMPFPGRQQX-UHFFFAOYSA-N
XLogP1.20
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(3-tert-butyl-1-methylpyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(tetrazol-1-yl)ethanone
CID 3484806
3-ethyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 63134611
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
1-[9-(3-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 167771813
1-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone
CID 97208119
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-2-yl]butane-1,4-dione
CID 5176733
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
4-phenyl-1-[2-(tetrazol-1-yl)acetyl]piperidine-4-carboxylic acid
CID 119164517
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(tetrazol-1-yl)ethanone
CID 56878819
1-(3-methylpiperazin-1-yl)-2-(tetrazol-1-yl)ethanone;hydrochloride
CID 119260834
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-[2-(tetrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 4689946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone (CID 167968288) is 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone is CC1CC(C)C1C(=O)N1CCCC2(CCN(C(=O)Cn3cnnn3)CC2)C1.
What is the InChIKey of 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is MQVBXMPFPGRQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-14-10-15(2)17(14)18(27)24-7-3-4-19(12-24)5-8-23(9-6-19)16(26)11-25-13-20-21-22-25/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 374.49 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylcyclobutanecarbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 167968288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).