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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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).