3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride

C42H79ClN6O9 — CID 160557308

IUPAC3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1.CN1CCC(CCC(=O)N2CCOCC2)CC1.Cl.O=C(CCC1CCNCC1)N1CCOCC1
InChIInChI=1S/C13H24N2O2.C13H23NO4.C12H22N2O2.C4H9NO.ClH/c1-14-6-4-12(5-7-14)2-3-13(16)15-8-10-17-11-9-15;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16;15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11;1-3-6-4-2-5-1;/h12H,2-11H2,1H3;10H,4-9H2,1-3H3,(H,15,16);11,13H,1-10H2;5H,1-4H2;1H
InChIKeyIBDXWQOOXCHMFD-UHFFFAOYSA-N
MW847.58 g/mol
LogP4.12
Rot. Bonds9

About 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride

3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride (PubChem CID 160557308) has the molecular formula C42H79ClN6O9 and a molecular weight of 847.58 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride
PubChem CID160557308
Molecular FormulaC42H79ClN6O9
Molecular Weight847.58 g/mol
Exact Mass846.56
IUPAC Name3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride
SMILESC1COCCN1.CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1.CN1CCC(CCC(=O)N2CCOCC2)CC1.Cl.O=C(CCC1CCNCC1)N1CCOCC1
InChIInChI=1S/C13H24N2O2.C13H23NO4.C12H22N2O2.C4H9NO.ClH/c1-14-6-4-12(5-7-14)2-3-13(16)15-8-10-17-11-9-15;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16;15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11;1-3-6-4-2-5-1;/h12H,2-11H2,1H3;10H,4-9H2,1-3H3,(H,15,16);11,13H,1-10H2;5H,1-4H2;1H
InChIKeyIBDXWQOOXCHMFD-UHFFFAOYSA-N
XLogP4.12
TPSA162.45 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.58
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride (CID 160557308) is 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride is C1COCCN1.CC(C)(C)OC(=O)N1CCC(CCC(=O)O)CC1.CN1CCC(CCC(=O)N2CCOCC2)CC1.Cl.O=C(CCC1CCNCC1)N1CCOCC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride?
The InChIKey is IBDXWQOOXCHMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.C13H23NO4.C12H22N2O2.C4H9NO.ClH/c1-14-6-4-12(5-7-14)2-3-13(16)15-8-10-17-11-9-15;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16;15-12(14-7-9-16-10-8-14)2-1-11-3-5-13-6-4-11;1-3-6-4-2-5-1;/h12H,2-11H2,1H3;10H,4-9H2,1-3H3,(H,15,16);11,13H,1-10H2;5H,1-4H2;1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride?
3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride has a molecular weight of 847.58 g/mol, XLogP of 4.12, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-1-morpholin-4-ylpropan-1-one;3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid;morpholine;1-morpholin-4-yl-3-piperidin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 160557308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).