(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide

C18H20N4O2 — CID 94800955

IUPAC(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
SMILESCc1noc([C@@H]2CCCN(C(=O)NCC#Cc3ccccc3)C2)n1
InChIInChI=1S/C18H20N4O2/c1-14-20-17(24-21-14)16-10-6-12-22(13-16)18(23)19-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,6,10-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyWCSMMCDMLLLZIO-MRXNPFEDSA-N
MW324.38 g/mol
LogP2.32
Rot. Bonds2

About (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide

(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide (PubChem CID 94800955) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
PubChem CID94800955
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
SMILESCc1noc([C@@H]2CCCN(C(=O)NCC#Cc3ccccc3)C2)n1
InChIInChI=1S/C18H20N4O2/c1-14-20-17(24-21-14)16-10-6-12-22(13-16)18(23)19-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,6,10-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyWCSMMCDMLLLZIO-MRXNPFEDSA-N
XLogP2.32
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[dimethyl(phenyl)silyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 119038571
(3S)-N-[(4-cyanophenyl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 94801015
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49122092
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 47061019
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 52530117
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]piperidine-1-carboxamide
CID 146125380
(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
N-(cyclohex-3-en-1-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 49128178
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide (CID 94800955) is (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide is Cc1noc([C@@H]2CCCN(C(=O)NCC#Cc3ccccc3)C2)n1.
What is the InChIKey of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
The InChIKey is WCSMMCDMLLLZIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-14-20-17(24-21-14)16-10-6-12-22(13-16)18(23)19-11-5-9-15-7-3-2-4-8-15/h2-4,7-8,16H,6,10-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide?
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide is sourced from PubChem (CID 94800955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).