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

C20H33FN4O — CID 97130982

IUPAC(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCCN1CCC(CNC(=O)[C@@H](c2ccccc2F)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)16-9-7-8-10-17(16)21/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)/t18-/m1/s1
InChIKeyGABSGBAHVSEOOQ-GOSISDBHSA-N
MW364.51 g/mol
LogP1.96
Rot. Bonds7

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

(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 97130982) has the molecular formula C20H33FN4O and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
PubChem CID97130982
Molecular FormulaC20H33FN4O
Molecular Weight364.51 g/mol
Exact Mass364.26
IUPAC Name(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
SMILESCCN1CCC(CNC(=O)[C@@H](c2ccccc2F)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)16-9-7-8-10-17(16)21/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)/t18-/m1/s1
InChIKeyGABSGBAHVSEOOQ-GOSISDBHSA-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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Related Compounds

(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 97192526
2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 72845654
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 97110124
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
N-[1-(azepan-1-yl)-2-methylpropan-2-yl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 72934848
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide (CID 97130982) is (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide is CCN1CCC(CNC(=O)[C@@H](c2ccccc2F)N(C)C)(N(C)C)CC1.
What is the InChIKey of (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is GABSGBAHVSEOOQ-GOSISDBHSA-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)16-9-7-8-10-17(16)21/h7-10,18H,6,11-15H2,1-5H3,(H,22,26)/t18-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide?
(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-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 (2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 97130982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).