5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C17H25N5O3 — CID 129007661

IUPAC5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2nc(COC)no2)n1C
InChIInChI=1S/C17H25N5O3/c1-18-17(23)14-8-7-12(21(14)2)13-6-4-5-9-22(13)10-16-19-15(11-24-3)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,18,23)
InChIKeyNYORIAOFQMSRRK-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.64
Rot. Bonds6

About 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129007661) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129007661
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2nc(COC)no2)n1C
InChIInChI=1S/C17H25N5O3/c1-18-17(23)14-8-7-12(21(14)2)13-6-4-5-9-22(13)10-16-19-15(11-24-3)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,18,23)
InChIKeyNYORIAOFQMSRRK-UHFFFAOYSA-N
XLogP1.64
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide with MolForge

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Related Compounds

5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007648
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816
5-[(2S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342543
5-[(2R)-1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129333113
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[(2R)-1-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129333242
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322
5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343540

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129007661) is 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc(C2CCCCN2Cc2nc(COC)no2)n1C.
What is the InChIKey of 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is NYORIAOFQMSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-18-17(23)14-8-7-12(21(14)2)13-6-4-5-9-22(13)10-16-19-15(11-24-3)20-25-16/h7-8,13H,4-6,9-11H2,1-3H3,(H,18,23).
What are the key properties of 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129007661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).