(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

C18H34N4O2 — CID 23540156

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21/h15-17H,2-14,19H2,1H3/t17-/m1/s1
InChIKeyYIYPCXZZZLTVSY-QGZVFWFLSA-N
MW338.50 g/mol
LogP0.23
Rot. Bonds4

About (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 23540156) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID23540156
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21/h15-17H,2-14,19H2,1H3/t17-/m1/s1
InChIKeyYIYPCXZZZLTVSY-QGZVFWFLSA-N
XLogP0.23
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 23540156) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is CN1CCC(C2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is YIYPCXZZZLTVSY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-20-6-2-15(3-7-20)16-4-8-22(9-5-16)18(23)17(19)14-21-10-12-24-13-11-21/h15-17H,2-14,19H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 338.50 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23540156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).