N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

C27H33N5O3 — CID 46358353

IUPACN-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)n2)cc1
InChIInChI=1S/C27H33N5O3/c1-34-24-9-7-21(8-10-24)25-29-27(35-30-25)32-17-11-22(12-18-32)26(33)28-23-13-15-31(16-14-23)19-20-5-3-2-4-6-20/h2-10,22-23H,11-19H2,1H3,(H,28,33)
InChIKeyONQBEMQXWCQHFP-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.74
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 46358353) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID46358353
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2noc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)n2)cc1
InChIInChI=1S/C27H33N5O3/c1-34-24-9-7-21(8-10-24)25-29-27(35-30-25)32-17-11-22(12-18-32)26(33)28-23-13-15-31(16-14-23)19-20-5-3-2-4-6-20/h2-10,22-23H,11-19H2,1H3,(H,28,33)
InChIKeyONQBEMQXWCQHFP-UHFFFAOYSA-N
XLogP3.74
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38148646
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519652
N-cycloheptyl-1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 53023440
N-(3-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519523
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 46358353) is N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is COc1ccc(-c2noc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)n2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is ONQBEMQXWCQHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-34-24-9-7-21(8-10-24)25-29-27(35-30-25)32-17-11-22(12-18-32)26(33)28-23-13-15-31(16-14-23)19-20-5-3-2-4-6-20/h2-10,22-23H,11-19H2,1H3,(H,28,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46358353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).