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

C17H33N5O2 — CID 90707121

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m1/s1
InChIKeyQQBFABCIFWOLOJ-QGZVFWFLSA-N
MW339.48 g/mol
LogP-0.77
Rot. Bonds3

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

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 90707121) has the molecular formula C17H33N5O2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID90707121
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@](C)(N)N3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m1/s1
InChIKeyQQBFABCIFWOLOJ-QGZVFWFLSA-N
XLogP-0.77
TPSA65.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-Cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxo-ethyl)-piperidin-4-yl]-urea
CID 6602643
US10716791, Code KP-287
CID 126601948
US11179399, Example 29
CID 163200045
1-(Morpholin-4-ylcarbonyl)-4-piperidylpiperidine-4-carboxamide
CID 714447
4-(Morpholine-4-carbonyl)-1-piperidin-4-ylpiperazin-2-one
CID 134790004
1-Cyclohexyl-3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]urea
CID 645711
N-[(3S)-hexan-3-yl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 164640504
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625
2-(3,5-dimethylmorpholin-4-yl)-N-[3-[4-[3-[[2-(3,5-dimethylmorpholin-4-yl)acetyl]amino]propyl]piperazin-1-yl]propyl]acetamide
CID 267453
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229561
N-isopropyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 20955370
N-cyclohexyl-4-[4-(2-methoxyethyl)-2,3-dioxopiperazino]tetrahydro-1(2H)-pyridinecarboxamide
CID 20955479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 90707121) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is CN1CCC(N2CCN(C(=O)[C@](C)(N)N3CCOCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is QQBFABCIFWOLOJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-17(18,22-11-13-24-14-12-22)16(23)21-9-7-20(8-10-21)15-3-5-19(2)6-4-15/h15H,3-14,18H2,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 339.48 g/mol, XLogP of -0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 90707121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).