(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C22H29N3O3 — CID 91918041

IUPAC(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(OCc2ccccc2)CCO3)nn1C
InChIInChI=1S/C22H29N3O3/c1-17-14-20(23-24(17)2)21(26)25-11-9-22(10-12-25)15-19(8-13-28-22)27-16-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15-16H2,1-2H3
InChIKeyVPHDQKIYMRGEIY-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.10
Rot. Bonds4

About (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91918041) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91918041
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(OCc2ccccc2)CCO3)nn1C
InChIInChI=1S/C22H29N3O3/c1-17-14-20(23-24(17)2)21(26)25-11-9-22(10-12-25)15-19(8-13-28-22)27-16-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15-16H2,1-2H3
InChIKeyVPHDQKIYMRGEIY-UHFFFAOYSA-N
XLogP3.10
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 91918100
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
(2-methoxyphenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918090
(3-methylthiophen-2-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918087
(2,5-difluorophenyl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91918073
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-thiophen-3-ylmethanone
CID 91907726
2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-quinolin-2-ylmethanone
CID 91918142
4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecane
CID 86820394
(4-ethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918170
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91918041) is (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)CC(OCc2ccccc2)CCO3)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is VPHDQKIYMRGEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-14-20(23-24(17)2)21(26)25-11-9-22(10-12-25)15-19(8-13-28-22)27-16-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15-16H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91918041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).