N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C15H21N3O2 — CID 164642175

IUPACN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC#CCN1CCC[C@H](CNC(=O)c2ccon2)C1
InChIInChI=1S/C15H21N3O2/c1-2-3-4-8-18-9-5-6-13(12-18)11-16-15(19)14-7-10-20-17-14/h7,10,13H,2,5-6,8-9,11-12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyYDYGBYWIYHWPQC-CYBMUJFWSA-N
MW275.35 g/mol
LogP1.53
Rot. Bonds4

About N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 164642175) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID164642175
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCCC#CCN1CCC[C@H](CNC(=O)c2ccon2)C1
InChIInChI=1S/C15H21N3O2/c1-2-3-4-8-18-9-5-6-13(12-18)11-16-15(19)14-7-10-20-17-14/h7,10,13H,2,5-6,8-9,11-12H2,1H3,(H,16,19)/t13-/m1/s1
InChIKeyYDYGBYWIYHWPQC-CYBMUJFWSA-N
XLogP1.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 164642175) is N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is CCC#CCN1CCC[C@H](CNC(=O)c2ccon2)C1.
What is the InChIKey of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is YDYGBYWIYHWPQC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-3-4-8-18-9-5-6-13(12-18)11-16-15(19)14-7-10-20-17-14/h7,10,13H,2,5-6,8-9,11-12H2,1H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164642175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).