8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

C16H21N3O4 — CID 118788671

IUPAC8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCn1nc2c(c1C(=O)N1CCC3(CC1)COC(=O)O3)CCCC2
InChIInChI=1S/C16H21N3O4/c1-18-13(11-4-2-3-5-12(11)17-18)14(20)19-8-6-16(7-9-19)10-22-15(21)23-16/h2-10H2,1H3
InChIKeyTUBGUKMMDIXWLS-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.44
Rot. Bonds1

About 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (PubChem CID 118788671) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
PubChem CID118788671
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
SMILESCn1nc2c(c1C(=O)N1CCC3(CC1)COC(=O)O3)CCCC2
InChIInChI=1S/C16H21N3O4/c1-18-13(11-4-2-3-5-12(11)17-18)14(20)19-8-6-16(7-9-19)10-22-15(21)23-16/h2-10H2,1H3
InChIKeyTUBGUKMMDIXWLS-UHFFFAOYSA-N
XLogP1.44
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96575416
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163306529
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118787840
(3R,4S)-3-hydroxy-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306381
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
2-methoxy-1-[4-[1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]piperidin-1-yl]ethanone
CID 154818159
(4-cyclopropyl-1,4-diazepan-1-yl)-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanone
CID 171648915
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 70738118
8-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 72903863
[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 170503288
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
CID 15135402
[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 163311949

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one (CID 118788671) is 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is Cn1nc2c(c1C(=O)N1CCC3(CC1)COC(=O)O3)CCCC2.
What is the InChIKey of 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
The InChIKey is TUBGUKMMDIXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-18-13(11-4-2-3-5-12(11)17-18)14(20)19-8-6-16(7-9-19)10-22-15(21)23-16/h2-10H2,1H3.
What are the key properties of 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one?
8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one has a molecular weight of 319.36 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 118788671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).