4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

C17H22N4O3 — CID 110924276

IUPAC4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(CNC(=O)N2CCC(C(O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O3/c1-12-19-15(24-20-12)11-18-17(23)21-9-7-14(8-10-21)16(22)13-5-3-2-4-6-13/h2-6,14,16,22H,7-11H2,1H3,(H,18,23)
InChIKeyFEZLGSXUDZWWNR-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.03
Rot. Bonds4

About 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 110924276) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID110924276
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1noc(CNC(=O)N2CCC(C(O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O3/c1-12-19-15(24-20-12)11-18-17(23)21-9-7-14(8-10-21)16(22)13-5-3-2-4-6-13/h2-6,14,16,22H,7-11H2,1H3,(H,18,23)
InChIKeyFEZLGSXUDZWWNR-UHFFFAOYSA-N
XLogP2.03
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(R)-hydroxy(phenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 30598601
1-(2-benzamidoacetyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602031
(2R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922501
4-[hydroxy(phenyl)methyl]-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 111483064
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 47022417
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 55590615
4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 56724151
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 110924276) is 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is Cc1noc(CNC(=O)N2CCC(C(O)c3ccccc3)CC2)n1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is FEZLGSXUDZWWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-19-15(24-20-12)11-18-17(23)21-9-7-14(8-10-21)16(22)13-5-3-2-4-6-13/h2-6,14,16,22H,7-11H2,1H3,(H,18,23).
What are the key properties of 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?
4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(phenyl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110924276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).