1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C17H23N5O2 — CID 119436794

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C17H23N5O2/c1-12(18)14-7-3-5-11-22(14)16(23)9-8-15-20-17(21-24-15)13-6-2-4-10-19-13/h2,4,6,10,12,14H,3,5,7-9,11,18H2,1H3
InChIKeyGXYTZANHKKULJY-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.79
Rot. Bonds5

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 119436794) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID119436794
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(N)C1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C17H23N5O2/c1-12(18)14-7-3-5-11-22(14)16(23)9-8-15-20-17(21-24-15)13-6-2-4-10-19-13/h2,4,6,10,12,14H,3,5,7-9,11,18H2,1H3
InChIKeyGXYTZANHKKULJY-UHFFFAOYSA-N
XLogP1.79
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119435405
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 51949209
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092103
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95764797
N-(1,3-benzothiazol-2-yl)-1-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 86982604
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 2013100
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119434830
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 119436794) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC(N)C1CCCCN1C(=O)CCc1nc(-c2ccccn2)no1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is GXYTZANHKKULJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(18)14-7-3-5-11-22(14)16(23)9-8-15-20-17(21-24-15)13-6-2-4-10-19-13/h2,4,6,10,12,14H,3,5,7-9,11,18H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 119436794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).