N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide

C14H24N4O3 — CID 72891115

IUPACN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1nonc1OCCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C14H24N4O3/c1-11-14(17-21-16-11)20-10-8-15-13(19)7-6-12-5-3-4-9-18(12)2/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyNPGDANDYTQCBKH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72891115) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72891115
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCc1nonc1OCCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C14H24N4O3/c1-11-14(17-21-16-11)20-10-8-15-13(19)7-6-12-5-3-4-9-18(12)2/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyNPGDANDYTQCBKH-UHFFFAOYSA-N
XLogP1.14
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-2-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 72885704
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
CID 126423652
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
N-tert-butyl-3-(1-methylpiperidin-2-yl)propanamide
CID 110855386
N-[(1R,2R,4S)-2-hydroxy-4-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylcarbamoyl]cyclohexyl]-1-methylpyrrole-2-carboxamide
CID 155913195
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
(1S,3S,4S)-3-hydroxy-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-4-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxamide
CID 156586244

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72891115) is N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide is Cc1nonc1OCCNC(=O)CCC1CCCCN1C.
What is the InChIKey of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is NPGDANDYTQCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-11-14(17-21-16-11)20-10-8-15-13(19)7-6-12-5-3-4-9-18(12)2/h12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72891115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).