2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

C13H23Cl2N3O2 — CID 91659773

IUPAC2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1ccon1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-2-8-16(12-3-6-14-7-4-12)13(17)10-11-5-9-18-15-11;;/h5,9,12,14H,2-4,6-8,10H2,1H3;2*1H
InChIKeyBEKKIPHDORSRMV-UHFFFAOYSA-N
MW324.25 g/mol
LogP2.05
Rot. Bonds5

About 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (PubChem CID 91659773) has the molecular formula C13H23Cl2N3O2 and a molecular weight of 324.25 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
PubChem CID91659773
Molecular FormulaC13H23Cl2N3O2
Molecular Weight324.25 g/mol
Exact Mass323.12
IUPAC Name2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1ccon1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C13H21N3O2.2ClH/c1-2-8-16(12-3-6-14-7-4-12)13(17)10-11-5-9-18-15-11;;/h5,9,12,14H,2-4,6-8,10H2,1H3;2*1H
InChIKeyBEKKIPHDORSRMV-UHFFFAOYSA-N
XLogP2.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119531441
2-(6-methyl-3-pyridinyl)-N-piperidin-4-yl-N-propylacetamide
CID 119825418
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-(2,6-dimethoxyphenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825135
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
N-piperidin-3-yl-N-propyl-1,2-oxazole-3-carboxamide
CID 63638830
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119533102
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531755
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
N-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)piperidin-4-amine;hydrochloride
CID 126511816

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The IUPAC name of 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (CID 91659773) is 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.
What is the SMILES notation for 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The canonical SMILES for 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is CCCN(C(=O)Cc1ccon1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The InChIKey is BEKKIPHDORSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.2ClH/c1-2-8-16(12-3-6-14-7-4-12)13(17)10-11-5-9-18-15-11;;/h5,9,12,14H,2-4,6-8,10H2,1H3;2*1H.
What are the key properties of 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride has a molecular weight of 324.25 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is sourced from PubChem (CID 91659773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).