N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C18H28FN3O2 — CID 9436232

IUPACN-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H28FN3O2/c1-4-14(2)20-18(23)13-22-9-7-21(8-10-22)12-15-11-16(19)5-6-17(15)24-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyYMHOPFLMYDQNEB-AWEZNQCLSA-N
MW337.44 g/mol
LogP1.87
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9436232) has the molecular formula C18H28FN3O2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9436232
Molecular FormulaC18H28FN3O2
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H28FN3O2/c1-4-14(2)20-18(23)13-22-9-7-21(8-10-22)12-15-11-16(19)5-6-17(15)24-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1
InChIKeyYMHOPFLMYDQNEB-AWEZNQCLSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436434
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 8749879
(2S)-N-ethyl-2-[[2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetyl]amino]propanamide
CID 8972470
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436470
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436462
N-(4-ethylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436150
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9436194
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
N-[(1S)-1-cyclopropylethyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997868
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 119833164
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 31129825
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8721129

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9436232) is N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is CC[C@H](C)NC(=O)CN1CCN(Cc2cc(F)ccc2OC)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is YMHOPFLMYDQNEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28FN3O2/c1-4-14(2)20-18(23)13-22-9-7-21(8-10-22)12-15-11-16(19)5-6-17(15)24-3/h5-6,11,14H,4,7-10,12-13H2,1-3H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9436232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).