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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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).