(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide

C18H28FN3O2 — CID 95309214

IUPAC(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-18(2,3)15(23)12-21-8-10-22(11-9-21)16(17(20)24)13-4-6-14(19)7-5-13/h4-7,15-16,23H,8-12H2,1-3H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyXADQPKKUGHMKCP-JKSUJKDBSA-N
MW337.44 g/mol
LogP1.38
Rot. Bonds5

About (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide

(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide (PubChem CID 95309214) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
PubChem CID95309214
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
SMILESCC(C)(C)[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H28FN3O2/c1-18(2,3)15(23)12-21-8-10-22(11-9-21)16(17(20)24)13-4-6-14(19)7-5-13/h4-7,15-16,23H,8-12H2,1-3H3,(H2,20,24)/t15-,16+/m0/s1
InChIKeyXADQPKKUGHMKCP-JKSUJKDBSA-N
XLogP1.38
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
2-(4-fluorophenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 43062013
2-(3,5-difluorophenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 70044853
ethyl (2S)-2-(4-chlorophenyl)-2-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]acetate
CID 32520506
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234
(2R)-1-[4-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 95309106
2-(4-fluorophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 43041193
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793
2-(4-fluorophenyl)-2-[4-[2-(methylsulfamoyl)phenyl]piperazin-1-yl]acetamide
CID 86886071
(2S)-2-(4-fluorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 26040439
2-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)acetamide
CID 69403152

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide (CID 95309214) is (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide is CC(C)(C)[C@@H](O)CN1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
The InChIKey is XADQPKKUGHMKCP-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-18(2,3)15(23)12-21-8-10-22(11-9-21)16(17(20)24)13-4-6-14(19)7-5-13/h4-7,15-16,23H,8-12H2,1-3H3,(H2,20,24)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide?
(2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 95309214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).