(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

C18H24FN5O — CID 100838841

IUPAC(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESC[C@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C18H24FN5O/c1-13-11-24(10-9-23(13)12-16-21-7-8-22(16)2)17(18(20)25)14-3-5-15(19)6-4-14/h3-8,13,17H,9-12H2,1-2H3,(H2,20,25)/t13-,17+/m0/s1
InChIKeyLELLYVMTTGVUBD-SUMWQHHRSA-N
MW345.42 g/mol
LogP1.29
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 100838841) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID100838841
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESC[C@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C
InChIInChI=1S/C18H24FN5O/c1-13-11-24(10-9-23(13)12-16-21-7-8-22(16)2)17(18(20)25)14-3-5-15(19)6-4-14/h3-8,13,17H,9-12H2,1-2H3,(H2,20,25)/t13-,17+/m0/s1
InChIKeyLELLYVMTTGVUBD-SUMWQHHRSA-N
XLogP1.29
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234
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CID 95297188
2-(4-fluorophenyl)-2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83978130
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
4-[[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]benzamide
CID 95287075
1-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 95311644
(3S,5R)-5-(4-fluorophenyl)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 129349173
(2S)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95316608
(2S)-2-[(3R)-3-acetamidopiperidin-1-yl]-2-(4-fluorophenyl)acetamide
CID 97312757
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110258633
2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 95294975
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 100838841) is (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide is C[C@H]1CN([C@@H](C(N)=O)c2ccc(F)cc2)CCN1Cc1nccn1C.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LELLYVMTTGVUBD-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13-11-24(10-9-23(13)12-16-21-7-8-22(16)2)17(18(20)25)14-3-5-15(19)6-4-14/h3-8,13,17H,9-12H2,1-2H3,(H2,20,25)/t13-,17+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide?
(2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[(3S)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 100838841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).