1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide

C19H29N3O3 — CID 72859242

IUPAC1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)7-4-10-20-18(23)15-8-11-22(12-9-15)19(24)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyYVQKFHCLVJGYFZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.38
Rot. Bonds6

About 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide (PubChem CID 72859242) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
PubChem CID72859242
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)7-4-10-20-18(23)15-8-11-22(12-9-15)19(24)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyYVQKFHCLVJGYFZ-UHFFFAOYSA-N
XLogP2.38
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide (CID 72859242) is 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide is Cc1noc(C)c1CCCNC(=O)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide?
The InChIKey is YVQKFHCLVJGYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-17(14(2)25-21-13)7-4-10-20-18(23)15-8-11-22(12-9-15)19(24)16-5-3-6-16/h15-16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72859242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).