4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

C17H22N4O2 — CID 91829247

IUPAC4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-13-16(20-23-19-13)17(22)18-9-12-21-10-7-15(8-11-21)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)
InChIKeyWGAVITDHAMPGJH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds5

About 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 91829247) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID91829247
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-13-16(20-23-19-13)17(22)18-9-12-21-10-7-15(8-11-21)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)
InChIKeyWGAVITDHAMPGJH-UHFFFAOYSA-N
XLogP1.99
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 118792578
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
3-[(dimethylamino)methyl]-N-[2-(4-phenylpiperidin-1-yl)ethyl]benzamide
CID 74248989
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
(2R)-2-(benzimidazol-1-yl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]propanamide
CID 125177370
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 26350779
2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 91832085

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 91829247) is 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is WGAVITDHAMPGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(20-23-19-13)17(22)18-9-12-21-10-7-15(8-11-21)14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22).
What are the key properties of 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 91829247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).