N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C20H27FN4O2 — CID 9436370

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1
InChIInChI=1S/C20H27FN4O2/c1-20(14-22,16-3-4-16)23-19(26)13-25-9-7-24(8-10-25)12-15-11-17(21)5-6-18(15)27-2/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyHXAKWPKIZCSXPT-FQEVSTJZSA-N
MW374.46 g/mol
LogP1.76
Rot. Bonds7

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9436370) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9436370
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(F)cc1CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1
InChIInChI=1S/C20H27FN4O2/c1-20(14-22,16-3-4-16)23-19(26)13-25-9-7-24(8-10-25)12-15-11-17(21)5-6-18(15)27-2/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeyHXAKWPKIZCSXPT-FQEVSTJZSA-N
XLogP1.76
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 9205197
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8771474
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-(4-fluorophenyl)piperidin-1-yl]acetamide
CID 97061567
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436232
methyl 2-[[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]amino]-4-fluorobenzoate
CID 94630899
2-(2-bromo-4-fluorophenoxy)-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 47004249
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium
CID 9136837
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8997907

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9436370) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(F)cc1CN1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HXAKWPKIZCSXPT-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-20(14-22,16-3-4-16)23-19(26)13-25-9-7-24(8-10-25)12-15-11-17(21)5-6-18(15)27-2/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9436370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).