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

C17H29N3O2 — CID 72856858

IUPACN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3O2/c1-12(2)20-10-7-15(8-11-20)17(21)18-9-5-6-16-13(3)19-22-14(16)4/h12,15H,5-11H2,1-4H3,(H,18,21)
InChIKeyZCOHRWABYLEOMK-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.46
Rot. Bonds6

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

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72856858) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72856858
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1noc(C)c1CCCNC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C17H29N3O2/c1-12(2)20-10-7-15(8-11-20)17(21)18-9-5-6-16-13(3)19-22-14(16)4/h12,15H,5-11H2,1-4H3,(H,18,21)
InChIKeyZCOHRWABYLEOMK-UHFFFAOYSA-N
XLogP2.46
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.46
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 N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72856858) is N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1noc(C)c1CCCNC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is ZCOHRWABYLEOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)20-10-7-15(8-11-20)17(21)18-9-5-6-16-13(3)19-22-14(16)4/h12,15H,5-11H2,1-4H3,(H,18,21).
What are the key properties of N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72856858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).