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

C20H22N4O2 — CID 51167878

IUPACN-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(20(26)22-19-5-3-2-4-16(19)14-21)23-10-12-24(13-11-23)17-6-8-18(25)9-7-17/h2-9,15,25H,10-13H2,1H3,(H,22,26)
InChIKeyVWSCLVZLRSTSHP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.41
Rot. Bonds4

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

N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 51167878) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID51167878
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C20H22N4O2/c1-15(20(26)22-19-5-3-2-4-16(19)14-21)23-10-12-24(13-11-23)17-6-8-18(25)9-7-17/h2-9,15,25H,10-13H2,1H3,(H,22,26)
InChIKeyVWSCLVZLRSTSHP-UHFFFAOYSA-N
XLogP2.41
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
(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
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 41038243
(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 8853108
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide (CID 51167878) is N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccccc1C#N)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is VWSCLVZLRSTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(20(26)22-19-5-3-2-4-16(19)14-21)23-10-12-24(13-11-23)17-6-8-18(25)9-7-17/h2-9,15,25H,10-13H2,1H3,(H,22,26).
What are the key properties of N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 51167878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).