3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide

C17H23N3O3 — CID 110234794

IUPAC3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1(Cc2cc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C17H23N3O3/c1-2-6-19-16(21)17(5-3-7-18-12-17)10-14-9-15(20-23-14)13-4-8-22-11-13/h1,9,13,18H,3-8,10-12H2,(H,19,21)
InChIKeyNKVARRRSAYBFBZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.84
Rot. Bonds5

About 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide

3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 110234794) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID110234794
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCNC(=O)C1(Cc2cc(C3CCOC3)no2)CCCNC1
InChIInChI=1S/C17H23N3O3/c1-2-6-19-16(21)17(5-3-7-18-12-17)10-14-9-15(20-23-14)13-4-8-22-11-13/h1,9,13,18H,3-8,10-12H2,(H,19,21)
InChIKeyNKVARRRSAYBFBZ-UHFFFAOYSA-N
XLogP0.84
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide (CID 110234794) is 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide is C#CCNC(=O)C1(Cc2cc(C3CCOC3)no2)CCCNC1.
What is the InChIKey of 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is NKVARRRSAYBFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-2-6-19-16(21)17(5-3-7-18-12-17)10-14-9-15(20-23-14)13-4-8-22-11-13/h1,9,13,18H,3-8,10-12H2,(H,19,21).
What are the key properties of 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide?
3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxolan-3-yl)-1,2-oxazol-5-yl]methyl]-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 110234794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).