4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride

C16H20ClN3O3 — CID 119399847

IUPAC4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(-c3cnco3)c2)CCNCC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(9-13)14-10-18-11-22-14;/h2-4,9-11,17H,5-8H2,1H3,(H,19,20);1H
InChIKeyWJVUDUXNIIGEFZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.47
Rot. Bonds4

About 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119399847) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119399847
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2cccc(-c3cnco3)c2)CCNCC1.Cl
InChIInChI=1S/C16H19N3O3.ClH/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(9-13)14-10-18-11-22-14;/h2-4,9-11,17H,5-8H2,1H3,(H,19,20);1H
InChIKeyWJVUDUXNIIGEFZ-UHFFFAOYSA-N
XLogP2.47
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide
CID 119399848
4-methoxy-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119808907
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119399884
N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
4-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperidine-4-carboxamide
CID 119707150
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119763609
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
4-methoxy-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 119720324
4-methoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119846179

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119399847) is 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2cccc(-c3cnco3)c2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is WJVUDUXNIIGEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.ClH/c1-21-16(5-7-17-8-6-16)15(20)19-13-4-2-3-12(9-13)14-10-18-11-22-14;/h2-4,9-11,17H,5-8H2,1H3,(H,19,20);1H.
What are the key properties of 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119399847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).