N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride

C14H22ClN3O2 — CID 171183073

IUPACN-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(19)16-13-4-2-12(3-5-13)14(10-18)17-8-6-15-7-9-17;/h2-5,14-15,18H,6-10H2,1H3,(H,16,19);1H/t14-;/m1./s1
InChIKeyADBCVDAKUADYPA-PFEQFJNWSA-N
MW299.80 g/mol
LogP1.01
Rot. Bonds4

About N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride

N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride (PubChem CID 171183073) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
PubChem CID171183073
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](CO)N2CCNCC2)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-11(19)16-13-4-2-12(3-5-13)14(10-18)17-8-6-15-7-9-17;/h2-5,14-15,18H,6-10H2,1H3,(H,16,19);1H/t14-;/m1./s1
InChIKeyADBCVDAKUADYPA-PFEQFJNWSA-N
XLogP1.01
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride 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

(R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897268
(R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24897482
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
Mirabegron (m5)
CID 90376256
N-(4-{[4-cyclohexyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16188588
N-(4-{[3-(2-hydroxyethyl)-4-(2-phenylethyl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16189155
(1R,2R)-3-(methylamino)-1-(N-methylanilino)-1-phenylpropan-2-ol
CID 44574884
N-(3,4-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 771574
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 772587
N-(4-{[3-(2-hydroxyethyl)-4-(3-methyl-2-buten-1-yl)-1-piperazinyl]methyl}phenyl)acetamide
CID 16187341
N-(4-{[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}phenyl)acetamide
CID 16191203
N-[(4-acetamidophenyl)methyl]-2-(4-methylmorpholin-4-ium-4-yl)acetamide chloride
CID 16192773

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride (CID 171183073) is N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc([C@@H](CO)N2CCNCC2)cc1.Cl.
What is the InChIKey of N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride?
The InChIKey is ADBCVDAKUADYPA-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-11(19)16-13-4-2-12(3-5-13)14(10-18)17-8-6-15-7-9-17;/h2-5,14-15,18H,6-10H2,1H3,(H,16,19);1H/t14-;/m1./s1.
What are the key properties of N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride?
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171183073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).