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

C17H22N4O2 — CID 34779176

IUPACN-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CN2CCC(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-19-16(23-20-13)12-21-9-7-15(8-10-21)17(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)
InChIKeyPFBDPFJZIPKMSS-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.91
Rot. Bonds5

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

N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 34779176) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID34779176
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CN2CCC(C(=O)NCc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-19-16(23-20-13)12-21-9-7-15(8-10-21)17(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22)
InChIKeyPFBDPFJZIPKMSS-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 34779176) is N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CN2CCC(C(=O)NCc3ccccc3)CC2)n1.
What is the InChIKey of N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PFBDPFJZIPKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-19-16(23-20-13)12-21-9-7-15(8-10-21)17(22)18-11-14-5-3-2-4-6-14/h2-6,15H,7-12H2,1H3,(H,18,22).
What are the key properties of N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 34779176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).