N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide

C17H22N4O2 — CID 35192555

IUPACN-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
SMILESCc1noc([C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-13(2)20-23-17)21-10-8-15(9-11-21)19-16(22)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyLDJSTQRDZACCRL-LBPRGKRZSA-N
MW314.39 g/mol
LogP2.33
Rot. Bonds4

About N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide

N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 35192555) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID35192555
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
SMILESCc1noc([C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-12(17-18-13(2)20-23-17)21-10-8-15(9-11-21)19-16(22)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyLDJSTQRDZACCRL-LBPRGKRZSA-N
XLogP2.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
N-cyclopropyl-1-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94651886
N-[1-[(1R)-1-naphthalen-2-ylethyl]piperidin-4-yl]benzamide
CID 51966883
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 95335964
methyl 1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-phenylpiperidine-4-carboxylate
CID 95372072
N-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]benzamide
CID 18156030
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785
N-cyclopentyl-3-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 95284643
N-cyclopropyl-4-[[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]methyl]benzamide
CID 42894187
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide (CID 35192555) is N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide is Cc1noc([C@H](C)N2CCC(NC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is LDJSTQRDZACCRL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(17-18-13(2)20-23-17)21-10-8-15(9-11-21)19-16(22)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide?
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 35192555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).