2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

C19H32Cl2N4O — CID 120599363

IUPAC2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1CC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CCN1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-16-13-18(7-8-20-16)21-19(24)15-23-11-9-22(10-12-23)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3,(H,21,24);2*1H
InChIKeyVDJKCHMJYWZFDS-UHFFFAOYSA-N
MW403.40 g/mol
LogP1.90
Rot. Bonds5

About 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride

2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120599363) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120599363
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCC1CC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CCN1.Cl.Cl
InChIInChI=1S/C19H30N4O.2ClH/c1-16-13-18(7-8-20-16)21-19(24)15-23-11-9-22(10-12-23)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3,(H,21,24);2*1H
InChIKeyVDJKCHMJYWZFDS-UHFFFAOYSA-N
XLogP1.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;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-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601411
1-benzyl-N-(2-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120599716
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
3-[(4-methylpiperazin-1-yl)methyl]-N-(2-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 120601515
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-(2-methylpiperidin-4-yl)-2-phenylmethoxyacetamide
CID 120597809
4-(1-benzylpyrrolidin-3-yl)-N-(2-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 128830431
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
2-(4-benzylpiperazin-1-yl)-N-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 21383089

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120599363) is 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is CC1CC(NC(=O)CN2CCN(Cc3ccccc3)CC2)CCN1.Cl.Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is VDJKCHMJYWZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c1-16-13-18(7-8-20-16)21-19(24)15-23-11-9-22(10-12-23)14-17-5-3-2-4-6-17;;/h2-6,16,18,20H,7-15H2,1H3,(H,21,24);2*1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride?
2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120599363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).