5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide

C20H25N3O2 — CID 25448460

IUPAC5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1
InChIInChI=1S/C20H25N3O2/c24-20(21-17-6-7-17)19-13-18(25-22-19)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,13,16-17H,6-12,14H2,(H,21,24)
InChIKeyMJZWTEZYECNCAG-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.02
Rot. Bonds6

About 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide

5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 25448460) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID25448460
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1
InChIInChI=1S/C20H25N3O2/c24-20(21-17-6-7-17)19-13-18(25-22-19)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,13,16-17H,6-12,14H2,(H,21,24)
InChIKeyMJZWTEZYECNCAG-UHFFFAOYSA-N
XLogP3.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-benzylpiperidin-1-yl)methyl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 95203912
5-[(4-benzylpiperidin-1-yl)methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42096928
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
5-[(4-benzylpiperidin-1-yl)methyl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56722665
5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 24817207
N-[1-(2-phenylethyl)piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043011
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
N-(1-benzylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 162651161
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
N-(1-benzylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136666398

Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide (CID 25448460) is 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CC1)c1cc(CN2CCC(Cc3ccccc3)CC2)on1.
What is the InChIKey of 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is MJZWTEZYECNCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(21-17-6-7-17)19-13-18(25-22-19)14-23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-5,13,16-17H,6-12,14H2,(H,21,24).
What are the key properties of 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide?
5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25448460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).