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

C17H33N5O2 — CID 23540196

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20/h15-16H,2-14,18H2,1H3/t16-/m1/s1
InChIKeyYGGWXCQXKMXYEU-MRXNPFEDSA-N
MW339.48 g/mol
LogP-1.12
Rot. Bonds4

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

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 23540196) 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]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID23540196
Molecular FormulaC17H33N5O2
Molecular Weight339.48 g/mol
Exact Mass339.26
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C17H33N5O2/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20/h15-16H,2-14,18H2,1H3/t16-/m1/s1
InChIKeyYGGWXCQXKMXYEU-MRXNPFEDSA-N
XLogP-1.12
TPSA65.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
US11179399, Example 29
CID 163200045
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
2-(4-Aminopiperidin-1-yl)-1-(morpholin-4-yl)ethan-1-one
CID 17609490
2,2,2-Trifluoro-1-[2-(morpholine-4-carbonyl)-4-piperidin-4-ylpiperazin-1-yl]ethanone
CID 11667999
4-{[4-(Piperidin-4-yl)-1-(trifluoroacetyl)piperazin-2-yl]carbonyl}morpholine dihydrochloride
CID 86635786
N-[5-fluoro-4-[4-(morpholine-2-carbonyl)piperazin-1-yl]piperidin-3-yl]acetamide
CID 144642152
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 24840362
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
3,6-Bis(morpholin-4-ylmethyl)piperazine-2,5-dione
CID 320051
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 23540196) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one is CN1CCC(N2CCN(C(=O)[C@H](N)CN3CCOCC3)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is YGGWXCQXKMXYEU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33N5O2/c1-19-4-2-15(3-5-19)21-6-8-22(9-7-21)17(23)16(18)14-20-10-12-24-13-11-20/h15-16H,2-14,18H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 339.48 g/mol, XLogP of -1.12, 4 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]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 23540196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).