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

C19H23N3O2 — CID 40729619

IUPAC(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(19(24)20-16-5-3-2-4-6-16)21-11-13-22(14-12-21)17-7-9-18(23)10-8-17/h2-10,15,23H,11-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyVSTXNLQODRRTGR-HNNXBMFYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds4

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

(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide (PubChem CID 40729619) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
PubChem CID40729619
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(19(24)20-16-5-3-2-4-6-16)21-11-13-22(14-12-21)17-7-9-18(23)10-8-17/h2-10,15,23H,11-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyVSTXNLQODRRTGR-HNNXBMFYSA-N
XLogP2.54
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096677
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
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
N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46800835
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
N-(3,4-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630982
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide (CID 40729619) is (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide?
The InChIKey is VSTXNLQODRRTGR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(19(24)20-16-5-3-2-4-6-16)21-11-13-22(14-12-21)17-7-9-18(23)10-8-17/h2-10,15,23H,11-14H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide?
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 40729619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).