[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

C26H40N2O3 — CID 112815373

IUPAC[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H40N2O3/c1-25(2,3)19-16-20(22(29)21(17-19)26(4,5)6)24(31)28-14-10-18(11-15-28)23(30)27-12-8-7-9-13-27/h16-18,29H,7-15H2,1-6H3
InChIKeyVLWNPXBGQMWYOP-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.85
Rot. Bonds2

About [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone

[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 112815373) has the molecular formula C26H40N2O3 and a molecular weight of 428.62 g/mol. Its IUPAC name is [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID112815373
Molecular FormulaC26H40N2O3
Molecular Weight428.62 g/mol
Exact Mass428.30
IUPAC Name[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H40N2O3/c1-25(2,3)19-16-20(22(29)21(17-19)26(4,5)6)24(31)28-14-10-18(11-15-28)23(30)27-12-8-7-9-13-27/h16-18,29H,7-15H2,1-6H3
InChIKeyVLWNPXBGQMWYOP-UHFFFAOYSA-N
XLogP4.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-ditert-butyl-2-hydroxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 112838802
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
CID 10952469
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882718
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone (CID 112815373) is [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is CC(C)(C)c1cc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VLWNPXBGQMWYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O3/c1-25(2,3)19-16-20(22(29)21(17-19)26(4,5)6)24(31)28-14-10-18(11-15-28)23(30)27-12-8-7-9-13-27/h16-18,29H,7-15H2,1-6H3.
What are the key properties of [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone?
[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 428.62 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 112815373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).