2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide

C20H33FN4O — CID 72864067

IUPAC2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCCN1CCC(CNC(=O)C(c2ccc(F)cc2)N(C)C)(N(C)C)CC1
InChIInChI=1S/C20H33FN4O/c1-6-25-13-11-20(12-14-25,24(4)5)15-22-19(26)18(23(2)3)16-7-9-17(21)10-8-16/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)
InChIKeyXRDCMPSXLYJVQV-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.96
Rot. Bonds7

About 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide

2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide (PubChem CID 72864067) has the molecular formula C20H33FN4O and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
PubChem CID72864067
Molecular FormulaC20H33FN4O
Molecular Weight364.51 g/mol
Exact Mass364.26
IUPAC Name2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
SMILESCCN1CCC(CNC(=O)C(c2ccc(F)cc2)N(C)C)(N(C)C)CC1
InChIInChI=1S/C20H33FN4O/c1-6-25-13-11-20(12-14-25,24(4)5)15-22-19(26)18(23(2)3)16-7-9-17(21)10-8-16/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)
InChIKeyXRDCMPSXLYJVQV-UHFFFAOYSA-N
XLogP1.96
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide (CID 72864067) is 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide is CCN1CCC(CNC(=O)C(c2ccc(F)cc2)N(C)C)(N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is XRDCMPSXLYJVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4O/c1-6-25-13-11-20(12-14-25,24(4)5)15-22-19(26)18(23(2)3)16-7-9-17(21)10-8-16/h7-10,18H,6,11-15H2,1-5H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide?
2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 364.51 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 72864067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).