3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

C20H32N4O3 — CID 3788247

IUPAC3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1
InChIInChI=1S/C20H32N4O3/c1-19(2,3)16-11-15(22(6)21-16)17(25)23-9-7-14(8-10-23)24-12-20(4,5)13-27-18(24)26/h11,14H,7-10,12-13H2,1-6H3
InChIKeyOKBIDKSQYUKSME-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.80
Rot. Bonds2

About 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one

3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (PubChem CID 3788247) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
PubChem CID3788247
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1
InChIInChI=1S/C20H32N4O3/c1-19(2,3)16-11-15(22(6)21-16)17(25)23-9-7-14(8-10-23)24-12-20(4,5)13-27-18(24)26/h11,14H,7-10,12-13H2,1-6H3
InChIKeyOKBIDKSQYUKSME-UHFFFAOYSA-N
XLogP2.80
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-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-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one (CID 3788247) is 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2CC(C)(C)COC2=O)CC1.
What is the InChIKey of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
The InChIKey is OKBIDKSQYUKSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-19(2,3)16-11-15(22(6)21-16)17(25)23-9-7-14(8-10-23)24-12-20(4,5)13-27-18(24)26/h11,14H,7-10,12-13H2,1-6H3.
What are the key properties of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one?
3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one has a molecular weight of 376.50 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-5,5-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 3788247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).