[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone

C24H40N4O3 — CID 95346086

IUPAC[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
SMILESCCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C24H40N4O3/c1-2-3-8-22-25-23(31-26-22)18-27-14-9-19(10-15-27)21-7-5-4-6-13-28(21)24(29)20-11-16-30-17-12-20/h19-21H,2-18H2,1H3/t21-/m1/s1
InChIKeyDUHABXKPSVQSOG-OAQYLSRUSA-N
MW432.61 g/mol
LogP3.82
Rot. Bonds7

About [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone

[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone (PubChem CID 95346086) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
PubChem CID95346086
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
SMILESCCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C24H40N4O3/c1-2-3-8-22-25-23(31-26-22)18-27-14-9-19(10-15-27)21-7-5-4-6-13-28(21)24(29)20-11-16-30-17-12-20/h19-21H,2-18H2,1H3/t21-/m1/s1
InChIKeyDUHABXKPSVQSOG-OAQYLSRUSA-N
XLogP3.82
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
[(2S)-2-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95326568
cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
1,3-dimethyl-6-[[4-[(2S)-1-(oxane-4-carbonyl)azepan-2-yl]piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 95346288
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
cyclopropyl-[(2R)-2-[1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95327970
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
[(2R)-2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone
CID 95333643
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone (CID 95346086) is [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone is CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone?
The InChIKey is DUHABXKPSVQSOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-2-3-8-22-25-23(31-26-22)18-27-14-9-19(10-15-27)21-7-5-4-6-13-28(21)24(29)20-11-16-30-17-12-20/h19-21H,2-18H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone?
[(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone has a molecular weight of 432.61 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]azepan-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95346086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).