4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide

C19H25N5O2 — CID 71853426

IUPAC4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(CN3CCc4ccccc43)no2)CC1
InChIInChI=1S/C19H25N5O2/c1-22(2)19(25)23-10-8-15(9-11-23)18-20-17(21-26-18)13-24-12-7-14-5-3-4-6-16(14)24/h3-6,15H,7-13H2,1-2H3
InChIKeyTYIQWHIMFGJBDI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.49
Rot. Bonds3

About 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 71853426) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID71853426
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(CN3CCc4ccccc43)no2)CC1
InChIInChI=1S/C19H25N5O2/c1-22(2)19(25)23-10-8-15(9-11-23)18-20-17(21-26-18)13-24-12-7-14-5-3-4-6-16(14)24/h3-6,15H,7-13H2,1-2H3
InChIKeyTYIQWHIMFGJBDI-UHFFFAOYSA-N
XLogP2.49
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 42760461
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 97193337
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 72856906
4-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide
CID 136531175
1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120869328
1,1,3-trimethyl-3-[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]urea
CID 166601372
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 86286464
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydroisoquinolin-1-one
CID 115773462
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
CID 71783664
2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 82294084
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51984855
6-methyl-1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 75504480

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 71853426) is 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(CN3CCc4ccccc43)no2)CC1.
What is the InChIKey of 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is TYIQWHIMFGJBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(2)19(25)23-10-8-15(9-11-23)18-20-17(21-26-18)13-24-12-7-14-5-3-4-6-16(14)24/h3-6,15H,7-13H2,1-2H3.
What are the key properties of 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydroindol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 71853426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).