1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide

C16H25N3O3 — CID 46942636

IUPAC1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H25N3O3/c1-5-8-17-15(21)16(4)7-6-9-19(10-16)14(20)13-11(2)18-22-12(13)3/h5-10H2,1-4H3,(H,17,21)
InChIKeyJBGQUYGJSWHMAA-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.06
Rot. Bonds4

About 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide (PubChem CID 46942636) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
PubChem CID46942636
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1(C)CCCN(C(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H25N3O3/c1-5-8-17-15(21)16(4)7-6-9-19(10-16)14(20)13-11(2)18-22-12(13)3/h5-10H2,1-4H3,(H,17,21)
InChIKeyJBGQUYGJSWHMAA-UHFFFAOYSA-N
XLogP2.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide (CID 46942636) is 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1(C)CCCN(C(=O)c2c(C)noc2C)C1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide?
The InChIKey is JBGQUYGJSWHMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-8-17-15(21)16(4)7-6-9-19(10-16)14(20)13-11(2)18-22-12(13)3/h5-10H2,1-4H3,(H,17,21).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide?
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 46942636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).