1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide

C23H32N6O4 — CID 55540710

IUPAC1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCN(C(C)C(=O)N4CCCC(C(N)=O)C4)CC3)n2)cc1
InChIInChI=1S/C23H32N6O4/c1-16(23(31)29-9-3-4-18(14-29)21(24)30)28-12-10-27(11-13-28)15-20-25-22(26-33-20)17-5-7-19(32-2)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3,(H2,24,30)
InChIKeyIIGOOHNLEXQYSV-UHFFFAOYSA-N
MW456.55 g/mol
LogP0.98
Rot. Bonds7

About 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide

1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 55540710) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide
PubChem CID55540710
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2noc(CN3CCN(C(C)C(=O)N4CCCC(C(N)=O)C4)CC3)n2)cc1
InChIInChI=1S/C23H32N6O4/c1-16(23(31)29-9-3-4-18(14-29)21(24)30)28-12-10-27(11-13-28)15-20-25-22(26-33-20)17-5-7-19(32-2)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3,(H2,24,30)
InChIKeyIIGOOHNLEXQYSV-UHFFFAOYSA-N
XLogP0.98
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 957363
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 112808529
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 43927604
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one
CID 119839906
[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 43930774
(2S)-2-amino-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119839905
N-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930723
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
(3S)-N,N-diethyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 42245790
(4-ethylpiperazin-1-yl)-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38148901
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542228

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide (CID 55540710) is 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide is COc1ccc(-c2noc(CN3CCN(C(C)C(=O)N4CCCC(C(N)=O)C4)CC3)n2)cc1.
What is the InChIKey of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is IIGOOHNLEXQYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-16(23(31)29-9-3-4-18(14-29)21(24)30)28-12-10-27(11-13-28)15-20-25-22(26-33-20)17-5-7-19(32-2)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3,(H2,24,30).
What are the key properties of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide?
1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 55540710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).