(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide

C17H22N4O2 — CID 95621689

IUPAC(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H22N4O2/c1-12-7-8-14(17(18)22)10-21(12)11-16-20-19-15(23-16)9-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H2,18,22)/t12-,14-/m0/s1
InChIKeyZMRLZDFWLVJGRB-JSGCOSHPSA-N
MW314.39 g/mol
LogP1.75
Rot. Bonds5

About (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide

(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 95621689) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID95621689
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
SMILESC[C@H]1CC[C@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H22N4O2/c1-12-7-8-14(17(18)22)10-21(12)11-16-20-19-15(23-16)9-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H2,18,22)/t12-,14-/m0/s1
InChIKeyZMRLZDFWLVJGRB-JSGCOSHPSA-N
XLogP1.75
TPSA85.25 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 ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
1-[[3-(hydrazinecarbonyl)phenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 63585615
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836
3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 54989275
(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
2-[[(2R,3aS,7aR)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]methyl]-5-benzyl-1,3,4-oxadiazole
CID 124732368
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 97246020
6-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidine-3-carboxamide
CID 103055846
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide (CID 95621689) is (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide is C[C@H]1CC[C@H](C(N)=O)CN1Cc1nnc(Cc2ccccc2)o1.
What is the InChIKey of (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is ZMRLZDFWLVJGRB-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-7-8-14(17(18)22)10-21(12)11-16-20-19-15(23-16)9-13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H2,18,22)/t12-,14-/m0/s1.
What are the key properties of (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95621689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).