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

C20H24F2N4O — CID 97060564

IUPAC(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESCN(C)[C@@H](C(=O)NC1CCN(c2ccccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N4O/c1-25(2)19(18-15(21)6-5-7-16(18)22)20(27)24-14-9-12-26(13-10-14)17-8-3-4-11-23-17/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyHUVQWDWUKANSQU-LJQANCHMSA-N
MW374.44 g/mol
LogP2.75
Rot. Bonds5

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

(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (PubChem CID 97060564) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
PubChem CID97060564
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
SMILESCN(C)[C@@H](C(=O)NC1CCN(c2ccccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C20H24F2N4O/c1-25(2)19(18-15(21)6-5-7-16(18)22)20(27)24-14-9-12-26(13-10-14)17-8-3-4-11-23-17/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1
InChIKeyHUVQWDWUKANSQU-LJQANCHMSA-N
XLogP2.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-propylpiperidin-4-yl)acetamide
CID 97098723
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
1-(2,3-difluorophenyl)-3-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241131
1-(2,3-difluorophenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97241132
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide (CID 97060564) is (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is CN(C)[C@@H](C(=O)NC1CCN(c2ccccn2)CC1)c1c(F)cccc1F.
What is the InChIKey of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
The InChIKey is HUVQWDWUKANSQU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-25(2)19(18-15(21)6-5-7-16(18)22)20(27)24-14-9-12-26(13-10-14)17-8-3-4-11-23-17/h3-8,11,14,19H,9-10,12-13H2,1-2H3,(H,24,27)/t19-/m1/s1.
What are the key properties of (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide?
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 97060564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).