N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H24ClFN4O3 — CID 120638322

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCNCC1.Cl
InChIInChI=1S/C18H23FN4O3.ClH/c1-12(21-17(24)18(11-25-2)6-8-20-9-7-18)16-22-15(23-26-16)13-4-3-5-14(19)10-13;/h3-5,10,12,20H,6-9,11H2,1-2H3,(H,21,24);1H
InChIKeyIMGHMSLRTNZKBQ-UHFFFAOYSA-N
MW398.87 g/mol
LogP2.49
Rot. Bonds6

About N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120638322) has the molecular formula C18H24ClFN4O3 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120638322
Molecular FormulaC18H24ClFN4O3
Molecular Weight398.87 g/mol
Exact Mass398.15
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCNCC1.Cl
InChIInChI=1S/C18H23FN4O3.ClH/c1-12(21-17(24)18(11-25-2)6-8-20-9-7-18)16-22-15(23-26-16)13-4-3-5-14(19)10-13;/h3-5,10,12,20H,6-9,11H2,1-2H3,(H,21,24);1H
InChIKeyIMGHMSLRTNZKBQ-UHFFFAOYSA-N
XLogP2.49
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120638322) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)c2nc(-c3cccc(F)c3)no2)CCNCC1.Cl.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IMGHMSLRTNZKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3.ClH/c1-12(21-17(24)18(11-25-2)6-8-20-9-7-18)16-22-15(23-26-16)13-4-3-5-14(19)10-13;/h3-5,10,12,20H,6-9,11H2,1-2H3,(H,21,24);1H.
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 398.87 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120638322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).