ethane;1-(4-methylpiperidin-1-yl)propan-1-one

C11H23NO — CID 143648090

IUPACethane;1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-3-9(11)10-6-4-8(2)5-7-10;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyJVQBRYWTRSMLCN-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds1

About ethane;1-(4-methylpiperidin-1-yl)propan-1-one

ethane;1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 143648090) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is ethane;1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Nameethane;1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID143648090
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Nameethane;1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC.CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C9H17NO.C2H6/c1-3-9(11)10-6-4-8(2)5-7-10;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyJVQBRYWTRSMLCN-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-(4-iodopiperidin-1-yl)propan-1-one
CID 126745875
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
2-bromo-1-(4-methylazepan-1-yl)ethanone
CID 63679167
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692
1-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 42702614

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of ethane;1-(4-methylpiperidin-1-yl)propan-1-one (CID 143648090) is ethane;1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for ethane;1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for ethane;1-(4-methylpiperidin-1-yl)propan-1-one is CC.CCC(=O)N1CCC(C)CC1.
What is the InChIKey of ethane;1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is JVQBRYWTRSMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2H6/c1-3-9(11)10-6-4-8(2)5-7-10;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylpiperidin-1-yl)propan-1-one?
ethane;1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 185.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 143648090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).