6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one

C18H34N2O2 — CID 153405004

IUPAC6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one
SMILESCC(C)C(CCCC(=O)N1CCOCC1)C1NCCCC1C
InChIInChI=1S/C18H34N2O2/c1-14(2)16(18-15(3)6-5-9-19-18)7-4-8-17(21)20-10-12-22-13-11-20/h14-16,18-19H,4-13H2,1-3H3
InChIKeyMHSIBNFWWRYTSL-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.68
Rot. Bonds6

About 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one

6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one (PubChem CID 153405004) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one
PubChem CID153405004
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one
SMILESCC(C)C(CCCC(=O)N1CCOCC1)C1NCCCC1C
InChIInChI=1S/C18H34N2O2/c1-14(2)16(18-15(3)6-5-9-19-18)7-4-8-17(21)20-10-12-22-13-11-20/h14-16,18-19H,4-13H2,1-3H3
InChIKeyMHSIBNFWWRYTSL-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one?
The IUPAC name of 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one (CID 153405004) is 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one is CC(C)C(CCCC(=O)N1CCOCC1)C1NCCCC1C.
What is the InChIKey of 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one?
The InChIKey is MHSIBNFWWRYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14(2)16(18-15(3)6-5-9-19-18)7-4-8-17(21)20-10-12-22-13-11-20/h14-16,18-19H,4-13H2,1-3H3.
What are the key properties of 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one?
6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methylpiperidin-2-yl)-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 153405004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).