1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one

C20H36N4O3 — CID 55381904

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCN(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C20H36N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)22-6-4-21(5-7-22)15-19(25)23-8-10-27-11-9-23/h16-18H,4-15H2,1-3H3
InChIKeyOZZYCACMEVPHNZ-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.36
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one (PubChem CID 55381904) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one
PubChem CID55381904
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one
SMILESCC1CC(C)CN(C(=O)C(C)N2CCN(CC(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C20H36N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)22-6-4-21(5-7-22)15-19(25)23-8-10-27-11-9-23/h16-18H,4-15H2,1-3H3
InChIKeyOZZYCACMEVPHNZ-UHFFFAOYSA-N
XLogP0.36
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one (CID 55381904) is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one is CC1CC(C)CN(C(=O)C(C)N2CCN(CC(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one?
The InChIKey is OZZYCACMEVPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-16-12-17(2)14-24(13-16)20(26)18(3)22-6-4-21(5-7-22)15-19(25)23-8-10-27-11-9-23/h16-18H,4-15H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one has a molecular weight of 380.53 g/mol, XLogP of 0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55381904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).