N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

C20H25N5O2 — CID 118794893

IUPACN-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)N3CCCC(c4noc(C)n4)C3)ccc21
InChIInChI=1S/C20H25N5O2/c1-4-25-13(2)10-16-11-17(7-8-18(16)25)22-20(26)24-9-5-6-15(12-24)19-21-14(3)27-23-19/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26)
InChIKeyYRTPTMRPVCSHHM-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.07
Rot. Bonds3

About N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide

N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (PubChem CID 118794893) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
PubChem CID118794893
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)N3CCCC(c4noc(C)n4)C3)ccc21
InChIInChI=1S/C20H25N5O2/c1-4-25-13(2)10-16-11-17(7-8-18(16)25)22-20(26)24-9-5-6-15(12-24)19-21-14(3)27-23-19/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26)
InChIKeyYRTPTMRPVCSHHM-UHFFFAOYSA-N
XLogP4.07
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 97436643
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-pyrazol-1-ylphenyl)piperidine-1-carboxamide
CID 72923845
N-[4-(dimethylcarbamoyl)phenyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 136562477
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 146138655
(3R)-N-(3-cyanophenyl)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95267695
N-(1-ethyl-2-methylindol-5-yl)-1-methylazepane-2-carboxamide
CID 131946732
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 95734457
1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[(2S)-oxolan-2-yl]ethanone
CID 95734342
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide (CID 118794893) is N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is CCn1c(C)cc2cc(NC(=O)N3CCCC(c4noc(C)n4)C3)ccc21.
What is the InChIKey of N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
The InChIKey is YRTPTMRPVCSHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-25-13(2)10-16-11-17(7-8-18(16)25)22-20(26)24-9-5-6-15(12-24)19-21-14(3)27-23-19/h7-8,10-11,15H,4-6,9,12H2,1-3H3,(H,22,26).
What are the key properties of N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide?
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118794893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).