1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

C19H34N4O3 — CID 55498243

IUPAC1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCN(C(=O)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-16-3-5-23(6-4-16)19(25)17(2)21-7-9-22(10-8-21)18(24)15-20-11-13-26-14-12-20/h16-17H,3-15H2,1-2H3
InChIKeyGOQJCTSVGJRCQG-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.11
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 55498243) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID55498243
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCC1CCN(C(=O)C(C)N2CCN(C(=O)CN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-16-3-5-23(6-4-16)19(25)17(2)21-7-9-22(10-8-21)18(24)15-20-11-13-26-14-12-20/h16-17H,3-15H2,1-2H3
InChIKeyGOQJCTSVGJRCQG-UHFFFAOYSA-N
XLogP0.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (CID 55498243) is 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is CC1CCN(C(=O)C(C)N2CCN(C(=O)CN3CCOCC3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is GOQJCTSVGJRCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-16-3-5-23(6-4-16)19(25)17(2)21-7-9-22(10-8-21)18(24)15-20-11-13-26-14-12-20/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 366.51 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55498243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).