N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C20H24BrN3O2 — CID 8528890

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-15(16-6-8-17(21)9-7-16)22-20(26)14-23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-14H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYCJVJNFHLMQWOH-HNNXBMFYSA-N
MW418.34 g/mol
LogP3.15
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 8528890) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID8528890
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O2/c1-15(16-6-8-17(21)9-7-16)22-20(26)14-23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-14H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyYCJVJNFHLMQWOH-HNNXBMFYSA-N
XLogP3.15
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
2-[4,7-bis[2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-(4-bromophenyl)ethyl]acetamide
CID 100946771
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 18086328
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 40891642
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687213
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704609
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55353735
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 55353744
N-[1-(4-fluorophenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 46561002

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 8528890) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is C[C@H](NC(=O)CN1CCN(c2ccccc2O)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is YCJVJNFHLMQWOH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-15(16-6-8-17(21)9-7-16)22-20(26)14-23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-14H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 418.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 8528890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).