3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

C22H32N4O4 — CID 91925551

IUPAC3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)nn1C
InChIInChI=1S/C22H32N4O4/c1-15-13-18(23-24(15)2)20(27)25-9-5-17(6-10-25)26-21(28)19(30-14-16-3-4-16)22(26)7-11-29-12-8-22/h13,16-17,19H,3-12,14H2,1-2H3
InChIKeyYUICQFIRPHIGIN-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.52
Rot. Bonds5

About 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one

3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925551) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
PubChem CID91925551
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one
SMILESCc1cc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)nn1C
InChIInChI=1S/C22H32N4O4/c1-15-13-18(23-24(15)2)20(27)25-9-5-17(6-10-25)26-21(28)19(30-14-16-3-4-16)22(26)7-11-29-12-8-22/h13,16-17,19H,3-12,14H2,1-2H3
InChIKeyYUICQFIRPHIGIN-UHFFFAOYSA-N
XLogP1.52
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one (CID 91925551) is 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is Cc1cc(C(=O)N2CCC(N3C(=O)C(OCC4CC4)C34CCOCC4)CC2)nn1C.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
The InChIKey is YUICQFIRPHIGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-15-13-18(23-24(15)2)20(27)25-9-5-17(6-10-25)26-21(28)19(30-14-16-3-4-16)22(26)7-11-29-12-8-22/h13,16-17,19H,3-12,14H2,1-2H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one?
3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one has a molecular weight of 416.52 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-7-oxa-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).