2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

C12H27Cl2N3O — CID 120553416

IUPAC2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NC1CCNCC1C.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-6-7-13-8-10(11)3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyBUOOCFRTABMRJF-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.29
Rot. Bonds5

About 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120553416) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120553416
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCCN(CC)CC(=O)NC1CCNCC1C.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-6-7-13-8-10(11)3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyBUOOCFRTABMRJF-UHFFFAOYSA-N
XLogP1.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(diethylamino)-N-(3-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'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554584
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
N-(3-methylpiperidin-4-yl)-N',N'-dipropylpentanediamide
CID 120557827
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
2-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120557156
N-(3-methylpiperidin-4-yl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120556841
N-(3-methylpiperidin-4-yl)-2-pentylsulfonylacetamide
CID 120556023

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120553416) is 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is CCN(CC)CC(=O)NC1CCNCC1C.Cl.Cl.
What is the InChIKey of 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is BUOOCFRTABMRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-4-15(5-2)9-12(16)14-11-6-7-13-8-10(11)3;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H.
What are the key properties of 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120553416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).