4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one

C24H36N4O2 — CID 20873192

IUPAC4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
SMILESCCCN(CCC)CCCC(=O)C1CCN(c2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C24H36N4O2/c1-4-14-27(15-5-2)16-6-7-22(29)20-12-17-28(18-13-20)24-25-23(26-30-24)21-10-8-19(3)9-11-21/h8-11,20H,4-7,12-18H2,1-3H3
InChIKeyCURQELJJNBKNMI-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.73
Rot. Bonds11

About 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one

4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one (PubChem CID 20873192) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
PubChem CID20873192
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one
SMILESCCCN(CCC)CCCC(=O)C1CCN(c2nc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C24H36N4O2/c1-4-14-27(15-5-2)16-6-7-22(29)20-12-17-28(18-13-20)24-25-23(26-30-24)21-10-8-19(3)9-11-21/h8-11,20H,4-7,12-18H2,1-3H3
InChIKeyCURQELJJNBKNMI-UHFFFAOYSA-N
XLogP4.73
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one with MolForge

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Related Compounds

N-butyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 22519562
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 22581244
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-ethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]azetidine-3-carboxamide
CID 75448602
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519609
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
1-[3-(4-cyanophenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 175941811
5-(3,9-diazabicyclo[3.3.1]nonan-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 167878467
4-(dipropylamino)-1-[1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 159814123
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-(4-methylbenzoyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941778
(2R)-1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]propan-2-ol
CID 133486075
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 22581243

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one?
The IUPAC name of 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one (CID 20873192) is 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one.
What is the SMILES notation for 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one?
The canonical SMILES for 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one is CCCN(CCC)CCCC(=O)C1CCN(c2nc(-c3ccc(C)cc3)no2)CC1.
What is the InChIKey of 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one?
The InChIKey is CURQELJJNBKNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-4-14-27(15-5-2)16-6-7-22(29)20-12-17-28(18-13-20)24-25-23(26-30-24)21-10-8-19(3)9-11-21/h8-11,20H,4-7,12-18H2,1-3H3.
What are the key properties of 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one?
4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one has a molecular weight of 412.58 g/mol, XLogP of 4.73, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-1-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]butan-1-one is sourced from PubChem (CID 20873192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).