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

C15H22N4O3 — CID 46800721

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-11(14(21)17-15(22)16-2)18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21,22)
InChIKeyXZIWGVOFTBFVIG-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.36
Rot. Bonds3

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

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 46800721) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID46800721
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N4O3/c1-11(14(21)17-15(22)16-2)18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21,22)
InChIKeyXZIWGVOFTBFVIG-UHFFFAOYSA-N
XLogP0.36
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 51242554
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
(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-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
(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
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
(2R)-N-(benzylcarbamoyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 9250304

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 46800721) is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is XZIWGVOFTBFVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11(14(21)17-15(22)16-2)18-7-9-19(10-8-18)12-3-5-13(20)6-4-12/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21,22).
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 46800721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).