[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

C18H24N4O3 — CID 119467487

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCCc1nc(COc2ccc(C(=O)N3CCCCC3CN)cc2)no1
InChIInChI=1S/C18H24N4O3/c1-2-17-20-16(21-25-17)12-24-15-8-6-13(7-9-15)18(23)22-10-4-3-5-14(22)11-19/h6-9,14H,2-5,10-12,19H2,1H3
InChIKeyQUGSRUXPSYQTEN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.16
Rot. Bonds6

About [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone

[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (PubChem CID 119467487) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
PubChem CID119467487
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
SMILESCCc1nc(COc2ccc(C(=O)N3CCCCC3CN)cc2)no1
InChIInChI=1S/C18H24N4O3/c1-2-17-20-16(21-25-17)12-24-15-8-6-13(7-9-15)18(23)22-10-4-3-5-14(22)11-19/h6-9,14H,2-5,10-12,19H2,1H3
InChIKeyQUGSRUXPSYQTEN-UHFFFAOYSA-N
XLogP2.16
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 119410766
2-[4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210708
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119632417
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119468783
[(2R)-2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 129381673
(4-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421593

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone (CID 119467487) is [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is CCc1nc(COc2ccc(C(=O)N3CCCCC3CN)cc2)no1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
The InChIKey is QUGSRUXPSYQTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-17-20-16(21-25-17)12-24-15-8-6-13(7-9-15)18(23)22-10-4-3-5-14(22)11-19/h6-9,14H,2-5,10-12,19H2,1H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 119467487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).