6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

C21H26N4O3 — CID 146070657

IUPAC6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCc1cnn(CC(=O)N2CCC(=O)N(Cc3ccccc3)C3(CCOC3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-17-11-22-24(12-17)14-20(27)23-9-7-19(26)25(13-18-5-3-2-4-6-18)21(15-23)8-10-28-16-21/h2-6,11-12H,7-10,13-16H2,1H3
InChIKeyZDMYTYKKXXNFSU-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.61
Rot. Bonds4

About 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (PubChem CID 146070657) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
PubChem CID146070657
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SMILESCc1cnn(CC(=O)N2CCC(=O)N(Cc3ccccc3)C3(CCOC3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-17-11-22-24(12-17)14-20(27)23-9-7-19(26)25(13-18-5-3-2-4-6-18)21(15-23)8-10-28-16-21/h2-6,11-12H,7-10,13-16H2,1H3
InChIKeyZDMYTYKKXXNFSU-UHFFFAOYSA-N
XLogP1.61
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-7-oxo-N-propyl-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146070649
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809
6-benzyl-10-(thiophene-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068336
6-benzyl-10-ethylsulfonyl-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068335
6-benzyl-10-(5-chloro-2-fluorobenzoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146068341
6-[(4-fluorophenyl)methyl]-10-(pyrimidine-2-carbonyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066819
6-(cyclopropylmethyl)-7-oxo-N-(2-phenylethyl)-2-oxa-6,10-diazaspiro[4.6]undecane-10-carboxamide
CID 146071110
10-(2-ethoxybenzoyl)-6-[(4-fluorophenyl)methyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066856
6-(3-methoxypropyl)-10-(2-pyridin-3-ylacetyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066813
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
1-[(3R)-3-(N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124954639
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The IUPAC name of 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one (CID 146070657) is 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is Cc1cnn(CC(=O)N2CCC(=O)N(Cc3ccccc3)C3(CCOC3)C2)c1.
What is the InChIKey of 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
The InChIKey is ZDMYTYKKXXNFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-17-11-22-24(12-17)14-20(27)23-9-7-19(26)25(13-18-5-3-2-4-6-18)21(15-23)8-10-28-16-21/h2-6,11-12H,7-10,13-16H2,1H3.
What are the key properties of 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one?
6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one has a molecular weight of 382.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-10-[2-(4-methylpyrazol-1-yl)acetyl]-2-oxa-6,10-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146070657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).