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

C17H30N4O2 — CID 71927650

IUPAC1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)c2nc(C(C)C)no2)C(CC)C1
InChIInChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3
InChIKeyGGIWWTWMKLAHQZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.88
Rot. Bonds6

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

1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one (PubChem CID 71927650) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
PubChem CID71927650
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NC(C)c2nc(C(C)C)no2)C(CC)C1
InChIInChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3
InChIKeyGGIWWTWMKLAHQZ-UHFFFAOYSA-N
XLogP2.88
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-[2-(1-{[3-(3-Methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-4-yl)ethyl]pyrrolidin-2-one
CID 16188226
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
N-(cyclopropylmethyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 45826763
N-(ethylcarbamoyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075221
N-[[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]acetamide
CID 47219829
2-[2-Cyclohexylethyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 51107248
2-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl-(2-cyclohexylethyl)amino]acetamide
CID 51133220
N-cyclopentyl-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338099
4-[2-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetyl]piperazin-2-one
CID 53513355
3-Ethyl-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53518545

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one (CID 71927650) is 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NC(C)c2nc(C(C)C)no2)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
The InChIKey is GGIWWTWMKLAHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-13-10-21(15(22)7-2)9-8-14(13)18-12(5)17-19-16(11(3)4)20-23-17/h11-14,18H,6-10H2,1-5H3.
What are the key properties of 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one has a molecular weight of 322.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).