N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H23BrN4O — CID 8546590

IUPACN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN4O/c1-15(16-5-7-17(20)8-6-16)22-19(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeySQJWVWITKAAXPE-HNNXBMFYSA-N
MW403.32 g/mol
LogP2.84
Rot. Bonds5

About N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8546590) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID8546590
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC NameN-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESC[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN4O/c1-15(16-5-7-17(20)8-6-16)22-19(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeySQJWVWITKAAXPE-HNNXBMFYSA-N
XLogP2.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8528890
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71991324
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-[1-(4-fluorophenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 4779861
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704016
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
N-(1,2-diphenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17412124
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3S)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]acetamide
CID 97020692
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 8546590) is N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is C[C@H](NC(=O)CN1CCN(c2ccccn2)CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is SQJWVWITKAAXPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-15(16-5-7-17(20)8-6-16)22-19(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 403.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 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-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8546590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).