(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

C21H33FN4O — CID 97192808

IUPAC(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCN1CCN(C2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)CC1
InChIInChI=1S/C21H33FN4O/c1-4-24-13-15-25(16-14-24)17-9-11-26(12-10-17)21(27)20(23(2)3)18-7-5-6-8-19(18)22/h5-8,17,20H,4,9-16H2,1-3H3/t20-/m1/s1
InChIKeyVSSJAWIUQHNFQY-HXUWFJFHSA-N
MW376.52 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone

(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 97192808) has the molecular formula C21H33FN4O and a molecular weight of 376.52 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID97192808
Molecular FormulaC21H33FN4O
Molecular Weight376.52 g/mol
Exact Mass376.26
IUPAC Name(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCN1CCN(C2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)CC1
InChIInChI=1S/C21H33FN4O/c1-4-24-13-15-25(16-14-24)17-9-11-26(12-10-17)21(27)20(23(2)3)18-7-5-6-8-19(18)22/h5-8,17,20H,4,9-16H2,1-3H3/t20-/m1/s1
InChIKeyVSSJAWIUQHNFQY-HXUWFJFHSA-N
XLogP2.06
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 135253062
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
CID 125171393
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
(2R)-2-(dimethylamino)-N-[[4-(dimethylamino)-1-ethylpiperidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 97130982
(2S)-2-amino-1-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 99852464
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 84746417

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone (CID 97192808) is (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is CCN1CCN(C2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)CC1.
What is the InChIKey of (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is VSSJAWIUQHNFQY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H33FN4O/c1-4-24-13-15-25(16-14-24)17-9-11-26(12-10-17)21(27)20(23(2)3)18-7-5-6-8-19(18)22/h5-8,17,20H,4,9-16H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone?
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 376.52 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 97192808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).