3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide

C22H29N3O2 — CID 92574817

IUPAC3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1
InChIInChI=1S/C22H29N3O2/c26-22(23-19-11-5-2-6-12-19)21-14-20(24-27-21)18-10-7-13-25(16-18)15-17-8-3-1-4-9-17/h1,3-4,8-9,14,18-19H,2,5-7,10-13,15-16H2,(H,23,26)/t18-/m1/s1
InChIKeyYOQUVFHGMHDYHY-GOSISDBHSA-N
MW367.49 g/mol
LogP4.12
Rot. Bonds5

About 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide

3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide (PubChem CID 92574817) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
PubChem CID92574817
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1
InChIInChI=1S/C22H29N3O2/c26-22(23-19-11-5-2-6-12-19)21-14-20(24-27-21)18-10-7-13-25(16-18)15-17-8-3-1-4-9-17/h1,3-4,8-9,14,18-19H,2,5-7,10-13,15-16H2,(H,23,26)/t18-/m1/s1
InChIKeyYOQUVFHGMHDYHY-GOSISDBHSA-N
XLogP4.12
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124999270
N-cyclohexyl-3-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125021653
N-cyclohexyl-3-[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 124961712
N-cyclohexyl-3-[(3S)-1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92576546
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-cyclohexyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110252063
N-cyclopropyl-3-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92568130
N-cyclopropyl-3-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110228950
N-cyclopropyl-3-[(3R)-1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92572171
N-cyclohexyl-3-[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 95811596
[3-[(3R)-1-benzylpiperidin-3-yl]-1,2-oxazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 92574813
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide (CID 92574817) is 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1.
What is the InChIKey of 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide?
The InChIKey is YOQUVFHGMHDYHY-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-22(23-19-11-5-2-6-12-19)21-14-20(24-27-21)18-10-7-13-25(16-18)15-17-8-3-1-4-9-17/h1,3-4,8-9,14,18-19H,2,5-7,10-13,15-16H2,(H,23,26)/t18-/m1/s1.
What are the key properties of 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide?
3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-benzylpiperidin-3-yl]-N-cyclohexyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92574817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).