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

C20H27N5O3 — CID 97454949

IUPAC(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(C)no2)c(C)c1
InChIInChI=1S/C20H27N5O3/c1-4-10-21-18(26)15-8-9-16(13(2)12-15)23-20(27)25-11-6-5-7-17(25)19-22-14(3)24-28-19/h8-9,12,17H,4-7,10-11H2,1-3H3,(H,21,26)(H,23,27)/t17-/m0/s1
InChIKeyYIFKITHODVFORS-KRWDZBQOSA-N
MW385.47 g/mol
LogP3.59
Rot. Bonds5

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

(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 97454949) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID97454949
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(C)no2)c(C)c1
InChIInChI=1S/C20H27N5O3/c1-4-10-21-18(26)15-8-9-16(13(2)12-15)23-20(27)25-11-6-5-7-17(25)19-22-14(3)24-28-19/h8-9,12,17H,4-7,10-11H2,1-3H3,(H,21,26)(H,23,27)/t17-/m0/s1
InChIKeyYIFKITHODVFORS-KRWDZBQOSA-N
XLogP3.59
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
N-[4-(ethylcarbamoyl)-2-methylphenyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 118790272
N-(4-ethylsulfanylphenyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 118785815
3-methoxy-N-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 135111285
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7365353
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
(2S)-N-(furan-2-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 95186545
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-methyl-2-oxochromen-7-yl)piperidine-1-carboxamide
CID 97270391
(2R)-N-(2,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7219015
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760812
(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-dimethylphenyl)pyrrolidine-1-carboxamide
CID 7231950

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 97454949) is (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is CCCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2nc(C)no2)c(C)c1.
What is the InChIKey of (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YIFKITHODVFORS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-4-10-21-18(26)15-8-9-16(13(2)12-15)23-20(27)25-11-6-5-7-17(25)19-22-14(3)24-28-19/h8-9,12,17H,4-7,10-11H2,1-3H3,(H,21,26)(H,23,27)/t17-/m0/s1.
What are the key properties of (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-methyl-4-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97454949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).