N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

C20H27N3O2 — CID 46974043

IUPACN-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C)C1
InChIInChI=1S/C20H27N3O2/c1-4-21-19(24)20(10-5-11-23(3)14-20)13-17-12-18(22-25-17)16-8-6-15(2)7-9-16/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyWWNDVZCWVMALKD-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide

N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 46974043) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID46974043
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C)C1
InChIInChI=1S/C20H27N3O2/c1-4-21-19(24)20(10-5-11-23(3)14-20)13-17-12-18(22-25-17)16-8-6-15(2)7-9-16/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,21,24)
InChIKeyWWNDVZCWVMALKD-UHFFFAOYSA-N
XLogP3.04
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974085
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855546
(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855471
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
ethyl (3R)-1-(cyclopropanecarbonyl)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxylate
CID 95853777
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylate
CID 92592803
(3R)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585867
(3S)-N,N-dimethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 51585866

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide (CID 46974043) is N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is CCNC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(C)C1.
What is the InChIKey of N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is WWNDVZCWVMALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-21-19(24)20(10-5-11-23(3)14-20)13-17-12-18(22-25-17)16-8-6-15(2)7-9-16/h6-9,12H,4-5,10-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide?
N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46974043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).