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

C19H23N3O3 — CID 47730082

IUPAC1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCc3cc(C)on3)C2)cc1
InChIInChI=1S/C19H23N3O3/c1-13-5-7-15(8-6-13)19(24)22-9-3-4-16(12-22)18(23)20-11-17-10-14(2)25-21-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,23)
InChIKeyYDXNLEFORZZQPT-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.46
Rot. Bonds4

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

1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 47730082) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID47730082
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCc3cc(C)on3)C2)cc1
InChIInChI=1S/C19H23N3O3/c1-13-5-7-15(8-6-13)19(24)22-9-3-4-16(12-22)18(23)20-11-17-10-14(2)25-21-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,23)
InChIKeyYDXNLEFORZZQPT-UHFFFAOYSA-N
XLogP2.46
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55622639
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (CID 47730082) is 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCCC(C(=O)NCc3cc(C)on3)C2)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YDXNLEFORZZQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-7-15(8-6-13)19(24)22-9-3-4-16(12-22)18(23)20-11-17-10-14(2)25-21-17/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47730082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).