methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

C26H54N2O2 — CID 158224419

IUPACmethane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESC.C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/2C12H23NO.2CH4/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;;/h2*9-11H,5-8H2,1-4H3;2*1H4
InChIKeyGDPZDJPKVGNZLN-UHFFFAOYSA-N
MW426.73 g/mol
LogP6.35
Rot. Bonds4

About methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one

methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 158224419) has the molecular formula C26H54N2O2 and a molecular weight of 426.73 g/mol. Its IUPAC name is methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Namemethane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID158224419
Molecular FormulaC26H54N2O2
Molecular Weight426.73 g/mol
Exact Mass426.42
IUPAC Namemethane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESC.C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCCC(C(C)C)C1
InChIInChI=1S/2C12H23NO.2CH4/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;;/h2*9-11H,5-8H2,1-4H3;2*1H4
InChIKeyGDPZDJPKVGNZLN-UHFFFAOYSA-N
XLogP6.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.73
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-Bis(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 4192357
1,5-Bis(3-methylpiperidin-1-yl)pentane-1,5-dione
CID 4576685
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]pentadecan-1-one;hydrochloride
CID 11546730
1-{4-[3-(1-Acetyl-piperidin-4-YL)-propyl]-piperidin-1-YL}-ethanone
CID 20752246
1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]heptadecan-1-one;hydrochloride
CID 11648484
1-[4-(1-Methylpiperidin-4-yl)piperidin-1-yl]tridecan-1-one;hydrochloride
CID 11704360
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
1,6-bis(3-(N,N-diethylcarbamoyl)piperidino)hexane
CID 121329
Cambridge id 6578494
CID 883902
[1-(Cyclohexylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 3148936
[1-(Cyclohexylmethyl)piperidin-4-yl](4-methylpiperidin-1-yl)methanone
CID 3148941

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 158224419) is methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is C.C.CC(C)C(=O)N1CCC(C(C)C)CC1.CC(C)C(=O)N1CCCC(C(C)C)C1.
What is the InChIKey of methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is GDPZDJPKVGNZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H23NO.2CH4/c1-9(2)11-5-7-13(8-6-11)12(14)10(3)4;1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;;/h2*9-11H,5-8H2,1-4H3;2*1H4.
What are the key properties of methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 426.73 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;2-methyl-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 158224419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).