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

C13H20N3O2+ — CID 8528578

IUPAC(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(13(14)18)15-6-8-16(9-7-15)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3,(H2,14,18)/p+1/t10-/m0/s1
InChIKeyNSGRZYQUCXQRJD-JTQLQIEISA-O
MW250.32 g/mol
LogP-1.03
Rot. Bonds3

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

(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (PubChem CID 8528578) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
PubChem CID8528578
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
SMILESC[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2O)CC1
InChIInChI=1S/C13H19N3O2/c1-10(13(14)18)15-6-8-16(9-7-15)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3,(H2,14,18)/p+1/t10-/m0/s1
InChIKeyNSGRZYQUCXQRJD-JTQLQIEISA-O
XLogP-1.03
TPSA71.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 2575256
(2R)-N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 7940777
(2S)-N-(2,4-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432656
(2S)-N-(cyclohexylcarbamoyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 8528570
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9432818
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9432728
(2S)-N-(2,5-difluorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 9432663
(2R)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide
CID 11928019
(2R)-N-(1-cyanocyclohexyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylpropanamide
CID 9432525
N-[(2S)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529545
N-[(2R)-butan-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8529542
(2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 9443159

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide (CID 8528578) is (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is C[C@@H](C(N)=O)[NH+]1CCN(c2ccccc2O)CC1.
What is the InChIKey of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
The InChIKey is NSGRZYQUCXQRJD-JTQLQIEISA-O. The full InChI is InChI=1S/C13H19N3O2/c1-10(13(14)18)15-6-8-16(9-7-15)11-4-2-3-5-12(11)17/h2-5,10,17H,6-9H2,1H3,(H2,14,18)/p+1/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide?
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide has a molecular weight of 250.32 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]propanamide is sourced from PubChem (CID 8528578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).