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

C20H22N4O2 — CID 2654878

IUPAC(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22N4O2/c1-15(20(26)22-17-8-6-16(14-21)7-9-17)23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-13H2,1H3,(H,22,26)/t15-/m1/s1
InChIKeyPMMIZEOAJREFHO-OAHLLOKOSA-N
MW350.42 g/mol
LogP2.41
Rot. Bonds4

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

(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 2654878) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID2654878
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H22N4O2/c1-15(20(26)22-17-8-6-16(14-21)7-9-17)23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-13H2,1H3,(H,22,26)/t15-/m1/s1
InChIKeyPMMIZEOAJREFHO-OAHLLOKOSA-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-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 86918779
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
2-(4-benzoylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 17444836
(2S)-2-[4-(2-methylphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 8725198
(2R)-2-(4-benzylpiperidin-1-yl)-N-(4-cyanophenyl)propanamide
CID 2654181
(2R)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(4-cyanophenyl)propanamide
CID 9443234
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 2654878) is (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is PMMIZEOAJREFHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(20(26)22-17-8-6-16(14-21)7-9-17)23-10-12-24(13-11-23)18-4-2-3-5-19(18)25/h2-9,15,25H,10-13H2,1H3,(H,22,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-(4-cyanophenyl)-2-[4-(2-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 (2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 2654878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).