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

C19H30N4O3 — CID 3251603

IUPAC3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2C(=O)OCC2(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-18(2,3)15-11-14(21(6)20-15)16(24)22-9-7-13(8-10-22)23-17(25)26-12-19(23,4)5/h11,13H,7-10,12H2,1-6H3
InChIKeyOFTPRQKNCHRZOR-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.55
Rot. Bonds2

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

3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 3251603) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID3251603
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2C(=O)OCC2(C)C)CC1
InChIInChI=1S/C19H30N4O3/c1-18(2,3)15-11-14(21(6)20-15)16(24)22-9-7-13(8-10-22)23-17(25)26-12-19(23,4)5/h11,13H,7-10,12H2,1-6H3
InChIKeyOFTPRQKNCHRZOR-UHFFFAOYSA-N
XLogP2.55
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 3251603) is 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is Cn1nc(C(C)(C)C)cc1C(=O)N1CCC(N2C(=O)OCC2(C)C)CC1.
What is the InChIKey of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is OFTPRQKNCHRZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-18(2,3)15-11-14(21(6)20-15)16(24)22-9-7-13(8-10-22)23-17(25)26-12-19(23,4)5/h11,13H,7-10,12H2,1-6H3.
What are the key properties of 3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 362.47 g/mol, XLogP of 2.55, 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]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3251603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).