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

C19H22BrN3O2 — CID 2096677

IUPAC(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-14(19(25)21-16-4-2-15(20)3-5-16)22-10-12-23(13-11-22)17-6-8-18(24)9-7-17/h2-9,14,24H,10-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeySPCYKQWQIFOEIU-AWEZNQCLSA-N
MW404.31 g/mol
LogP3.30
Rot. Bonds4

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

(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 2096677) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID2096677
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-14(19(25)21-16-4-2-15(20)3-5-16)22-10-12-23(13-11-22)17-6-8-18(24)9-7-17/h2-9,14,24H,10-13H2,1H3,(H,21,25)/t14-/m0/s1
InChIKeySPCYKQWQIFOEIU-AWEZNQCLSA-N
XLogP3.30
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(4-bromophenyl)-2-piperazin-1-ylpropanamide
CID 43089557
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 46043327
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 2096677) is (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is SPCYKQWQIFOEIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-14(19(25)21-16-4-2-15(20)3-5-16)22-10-12-23(13-11-22)17-6-8-18(24)9-7-17/h2-9,14,24H,10-13H2,1H3,(H,21,25)/t14-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 404.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2096677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).