(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide

C18H27F2N3O — CID 97098723

IUPAC(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)[C@@H](c2c(F)cccc2F)N(C)C)CC1
InChIInChI=1S/C18H27F2N3O/c1-4-10-23-11-8-13(9-12-23)21-18(24)17(22(2)3)16-14(19)6-5-7-15(16)20/h5-7,13,17H,4,8-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyWNCVKYBDORKERP-QGZVFWFLSA-N
MW339.43 g/mol
LogP2.56
Rot. Bonds6

About (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide

(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 97098723) has the molecular formula C18H27F2N3O and a molecular weight of 339.43 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID97098723
Molecular FormulaC18H27F2N3O
Molecular Weight339.43 g/mol
Exact Mass339.21
IUPAC Name(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)[C@@H](c2c(F)cccc2F)N(C)C)CC1
InChIInChI=1S/C18H27F2N3O/c1-4-10-23-11-8-13(9-12-23)21-18(24)17(22(2)3)16-14(19)6-5-7-15(16)20/h5-7,13,17H,4,8-12H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyWNCVKYBDORKERP-QGZVFWFLSA-N
XLogP2.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide (CID 97098723) is (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)[C@@H](c2c(F)cccc2F)N(C)C)CC1.
What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is WNCVKYBDORKERP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27F2N3O/c1-4-10-23-11-8-13(9-12-23)21-18(24)17(22(2)3)16-14(19)6-5-7-15(16)20/h5-7,13,17H,4,8-12H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide?
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 339.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 97098723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).