N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C21H25F2N3O2 — CID 8592393

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C21H25F2N3O2/c1-15(19-7-6-16(22)12-20(19)23)24-21(27)14-25-8-10-26(11-9-25)17-4-3-5-18(13-17)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyUIXOOADQAXRYBV-OAHLLOKOSA-N
MW389.45 g/mol
LogP2.97
Rot. Bonds6

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8592393) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID8592393
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3F)CC2)c1
InChIInChI=1S/C21H25F2N3O2/c1-15(19-7-6-16(22)12-20(19)23)24-21(27)14-25-8-10-26(11-9-25)17-4-3-5-18(13-17)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,27)/t15-/m1/s1
InChIKeyUIXOOADQAXRYBV-OAHLLOKOSA-N
XLogP2.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592392
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
2-(4-benzoylpiperazin-1-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 9223420
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46561424
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 38126163
propan-2-yl 2-[4-(3-methoxyphenyl)piperazin-1-yl]acetate
CID 60690618
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 8587355

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 8592393) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)N[C@H](C)c3ccc(F)cc3F)CC2)c1.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is UIXOOADQAXRYBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-15(19-7-6-16(22)12-20(19)23)24-21(27)14-25-8-10-26(11-9-25)17-4-3-5-18(13-17)28-2/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,24,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 389.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8592393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).