4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide

C20H27N3O3 — CID 120629818

IUPAC4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CCNCC1
InChIInChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)18-23-17(13-26-18)7-10-22-19(24)20(14-25-2)8-11-21-12-9-20/h3-6,13,21H,7-12,14H2,1-2H3,(H,22,24)
InChIKeyYXAYJHQLNSRCJJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.32
Rot. Bonds7

About 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide (PubChem CID 120629818) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide
PubChem CID120629818
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CCNCC1
InChIInChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)18-23-17(13-26-18)7-10-22-19(24)20(14-25-2)8-11-21-12-9-20/h3-6,13,21H,7-12,14H2,1-2H3,(H,22,24)
InChIKeyYXAYJHQLNSRCJJ-UHFFFAOYSA-N
XLogP2.32
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(methoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide;dihydrochloride
CID 120641072
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119765994
1-(2-methoxyethyl)-2-methyl-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 110941344
ethyl N-[3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylamino]-3-oxopropyl]carbamate
CID 51105748
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
3-methoxy-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]benzamide
CID 146122399
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
4-(methoxymethyl)-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120631667
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]urea
CID 111455113

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide (CID 120629818) is 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide is COCC1(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is YXAYJHQLNSRCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-3-5-16(6-4-15)18-23-17(13-26-18)7-10-22-19(24)20(14-25-2)8-11-21-12-9-20/h3-6,13,21H,7-12,14H2,1-2H3,(H,22,24).
What are the key properties of 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).