N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride

C16H28Cl2N4O — CID 120506442

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C(c1ccccc1)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(12-17)18-16(21)15(14-6-4-3-5-7-14)20-10-8-19(2)9-11-20;;/h3-7,13,15H,8-12,17H2,1-2H3,(H,18,21);2*1H/t13-,15?;;/m0../s1
InChIKeyAQDAGYHOYVJKDQ-GMDIQBKMSA-N
MW363.33 g/mol
LogP1.28
Rot. Bonds5

About N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride (PubChem CID 120506442) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
PubChem CID120506442
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
SMILESC[C@@H](CN)NC(=O)C(c1ccccc1)N1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(12-17)18-16(21)15(14-6-4-3-5-7-14)20-10-8-19(2)9-11-20;;/h3-7,13,15H,8-12,17H2,1-2H3,(H,18,21);2*1H/t13-,15?;;/m0../s1
InChIKeyAQDAGYHOYVJKDQ-GMDIQBKMSA-N
XLogP1.28
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride 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

N-[(2S)-1-aminopropan-2-yl]-2-phenyl-2-thiomorpholin-4-ylacetamide;dihydrochloride
CID 120505334
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
methyl (3R)-3-[[(2S)-2-phenyl-2-pyrrolidin-1-ylacetyl]amino]butanoate
CID 95967811
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976
N-(3-amino-2-methylpropyl)-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119996171

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride (CID 120506442) is N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride is C[C@@H](CN)NC(=O)C(c1ccccc1)N1CCN(C)CC1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
The InChIKey is AQDAGYHOYVJKDQ-GMDIQBKMSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-13(12-17)18-16(21)15(14-6-4-3-5-7-14)20-10-8-19(2)9-11-20;;/h3-7,13,15H,8-12,17H2,1-2H3,(H,18,21);2*1H/t13-,15?;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride is sourced from PubChem (CID 120506442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).