1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one

C17H32N4O2 — CID 122154247

IUPAC1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN2CCCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-18-7-9-21(10-8-18)17(22)4-6-19-5-2-3-16(15-19)20-11-13-23-14-12-20/h16H,2-15H2,1H3
InChIKeyLJKUGKZXICYUPN-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.05
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one

1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one (PubChem CID 122154247) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
PubChem CID122154247
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN2CCCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-18-7-9-21(10-8-18)17(22)4-6-19-5-2-3-16(15-19)20-11-13-23-14-12-20/h16H,2-15H2,1H3
InChIKeyLJKUGKZXICYUPN-UHFFFAOYSA-N
XLogP-0.05
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Morpholinium, 4,4'-(1,4-piperazinediylbis(carbonylethylene))bis(4-methyl-, diiodide
CID 121257
Morpholinium, 4,4'-(1,4-piperazinediylbis(carbonylethylene))bis(4-methyl-, dibromide
CID 121259
1-Piperazineethanol, 4-(1-oxo-3-(1-piperidinyl)propyl)-alpha-(1-piperidinylmethyl)-, acetate(ester), trihydrochloride
CID 3066016
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
3-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53594420
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
3-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121177
3-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121258
3-(1-Ethylpiperidin-1-ium-1-yl)-1-[4-[3-(1-ethylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199464
2-(4-Methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 199522
1-Morpholin-4-yl-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 1439625

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one (CID 122154247) is 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one is CN1CCN(C(=O)CCN2CCCC(N3CCOCC3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
The InChIKey is LJKUGKZXICYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-18-7-9-21(10-8-18)17(22)4-6-19-5-2-3-16(15-19)20-11-13-23-14-12-20/h16H,2-15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one?
1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one has a molecular weight of 324.47 g/mol, XLogP of -0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(3-morpholin-4-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 122154247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).