ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide

C16H34N2O2 — CID 145076984

IUPACethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
SMILESCC.CC.CNC(=O)CCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N2O2.2C2H6/c1-10-6-8-14(9-7-10)12(16)5-3-4-11(15)13-2;2*1-2/h10H,3-9H2,1-2H3,(H,13,15);2*1-2H3
InChIKeyOXKAISCAVDRQOQ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.21
Rot. Bonds4

About ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide

ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide (PubChem CID 145076984) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide.

Molecular Properties

Compound Nameethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
PubChem CID145076984
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Nameethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide
SMILESCC.CC.CNC(=O)CCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C12H22N2O2.2C2H6/c1-10-6-8-14(9-7-10)12(16)5-3-4-11(15)13-2;2*1-2/h10H,3-9H2,1-2H3,(H,13,15);2*1-2H3
InChIKeyOXKAISCAVDRQOQ-UHFFFAOYSA-N
XLogP3.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1,4-dimethylpiperidine;ethane;N-methyl-4-oxobutanamide
CID 145076946
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
5-chloro-1-(4-methylazepan-1-yl)pentan-1-one
CID 63623010
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide?
The IUPAC name of ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide (CID 145076984) is ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide.
What is the SMILES notation for ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide?
The canonical SMILES for ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide is CC.CC.CNC(=O)CCCC(=O)N1CCC(C)CC1.
What is the InChIKey of ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide?
The InChIKey is OXKAISCAVDRQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.2C2H6/c1-10-6-8-14(9-7-10)12(16)5-3-4-11(15)13-2;2*1-2/h10H,3-9H2,1-2H3,(H,13,15);2*1-2H3.
What are the key properties of ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide?
ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide has a molecular weight of 286.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-(4-methylpiperidin-1-yl)-5-oxopentanamide is sourced from PubChem (CID 145076984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).