2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

C18H32F2N4O2 — CID 145493208

IUPAC2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CC(F)(F)CCN3)CC2)CC1
InChIInChI=1S/C18H32F2N4O2/c1-22-6-2-16(3-7-22)23-8-10-24(11-9-23)17(25)14-26-13-15-12-18(19,20)4-5-21-15/h15-16,21H,2-14H2,1H3
InChIKeyINVAHUVBXYQHSE-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.63
Rot. Bonds5

About 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 145493208) has the molecular formula C18H32F2N4O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
PubChem CID145493208
Molecular FormulaC18H32F2N4O2
Molecular Weight374.48 g/mol
Exact Mass374.25
IUPAC Name2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
SMILESCN1CCC(N2CCN(C(=O)COCC3CC(F)(F)CCN3)CC2)CC1
InChIInChI=1S/C18H32F2N4O2/c1-22-6-2-16(3-7-22)23-8-10-24(11-9-23)17(25)14-26-13-15-12-18(19,20)4-5-21-15/h15-16,21H,2-14H2,1H3
InChIKeyINVAHUVBXYQHSE-UHFFFAOYSA-N
XLogP0.63
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone (CID 145493208) is 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is CN1CCC(N2CCN(C(=O)COCC3CC(F)(F)CCN3)CC2)CC1.
What is the InChIKey of 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is INVAHUVBXYQHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F2N4O2/c1-22-6-2-16(3-7-22)23-8-10-24(11-9-23)17(25)14-26-13-15-12-18(19,20)4-5-21-15/h15-16,21H,2-14H2,1H3.
What are the key properties of 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone?
2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-2-yl)methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 145493208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).