1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

C20H26N4O2 — CID 163313724

IUPAC1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cc2[nH]nc3ccccc23)C1=O
InChIInChI=1S/C20H26N4O2/c1-2-11-23-12-5-9-20(19(23)26)10-6-13-24(20)18(25)14-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,21,22)
InChIKeyYIHNBZKIAAGCEV-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.50
Rot. Bonds4

About 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one

1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163313724) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163313724
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCCCN1CCCC2(CCCN2C(=O)Cc2[nH]nc3ccccc23)C1=O
InChIInChI=1S/C20H26N4O2/c1-2-11-23-12-5-9-20(19(23)26)10-6-13-24(20)18(25)14-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,21,22)
InChIKeyYIHNBZKIAAGCEV-UHFFFAOYSA-N
XLogP2.50
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenylpropanoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162638324
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
1-[2-(2-propan-2-ylbenzimidazol-1-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631229
1-[3-(2,4-dimethylphenyl)propanoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162625940
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
1-[3-(2-fluorophenyl)propanoyl]-9-(2-hydroxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635282
1-(2-methyl-3H-benzimidazole-5-carbonyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628389
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
1-[2-[(4-methylphenyl)methyl]benzoyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162631168
3-(10-oxo-9-propyl-1,9-diazaspiro[4.5]decane-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 162638931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one (CID 163313724) is 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is CCCN1CCCC2(CCCN2C(=O)Cc2[nH]nc3ccccc23)C1=O.
What is the InChIKey of 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YIHNBZKIAAGCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-2-11-23-12-5-9-20(19(23)26)10-6-13-24(20)18(25)14-17-15-7-3-4-8-16(15)21-22-17/h3-4,7-8H,2,5-6,9-14H2,1H3,(H,21,22).
What are the key properties of 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 354.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2H-indazol-3-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163313724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).