(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C19H28FN3O2 — CID 97197887

IUPAC(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC1CCN(C(=O)CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C19H28FN3O2/c1-14-9-12-23(13-10-14)17(24)8-11-21-19(25)18(22(2)3)15-4-6-16(20)7-5-15/h4-7,14,18H,8-13H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyQIFZCIDCQCOPDA-GOSISDBHSA-N
MW349.45 g/mol
LogP2.19
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 97197887) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID97197887
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC1CCN(C(=O)CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1
InChIInChI=1S/C19H28FN3O2/c1-14-9-12-23(13-10-14)17(24)8-11-21-19(25)18(22(2)3)15-4-6-16(20)7-5-15/h4-7,14,18H,8-13H2,1-3H3,(H,21,25)/t18-/m1/s1
InChIKeyQIFZCIDCQCOPDA-GOSISDBHSA-N
XLogP2.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97284597
3-[2-(4-fluorophenyl)ethylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014322
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
CID 72842259
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 97207855
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
2-(dimethylamino)-N-[2-(4-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 110620673
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
2-(dimethylamino)-2-(4-fluorophenyl)-N-(oxan-4-yl)acetamide
CID 72878854
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
(2S)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 97192526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 97197887) is (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC1CCN(C(=O)CCNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is QIFZCIDCQCOPDA-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-14-9-12-23(13-10-14)17(24)8-11-21-19(25)18(22(2)3)15-4-6-16(20)7-5-15/h4-7,14,18H,8-13H2,1-3H3,(H,21,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 349.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 97197887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).