ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

C25H52N2O2 — CID 156718698

IUPACethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CC.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H23NO.C9H17NO.2C2H6/c1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;2*1-2/h9-11H,5-8H2,1-4H3;8H,3-7H2,1-2H3;2*1-2H3
InChIKeyWYLFOHQOWXYMFT-UHFFFAOYSA-N
MW412.70 g/mol
LogP6.24
Rot. Bonds3

About ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one

ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 156718698) has the molecular formula C25H52N2O2 and a molecular weight of 412.70 g/mol. Its IUPAC name is ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID156718698
Molecular FormulaC25H52N2O2
Molecular Weight412.70 g/mol
Exact Mass412.40
IUPAC Nameethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC.CC.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H23NO.C9H17NO.2C2H6/c1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;2*1-2/h9-11H,5-8H2,1-4H3;8H,3-7H2,1-2H3;2*1-2H3
InChIKeyWYLFOHQOWXYMFT-UHFFFAOYSA-N
XLogP6.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 56.24
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 ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one (CID 156718698) is ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is CC.CC.CC(C)C(=O)N1CCCC(C(C)C)C1.CC(C)C(=O)N1CCCCC1.
What is the InChIKey of ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WYLFOHQOWXYMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO.C9H17NO.2C2H6/c1-9(2)11-6-5-7-13(8-11)12(14)10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;2*1-2/h9-11H,5-8H2,1-4H3;8H,3-7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one?
ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 412.70 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 156718698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).