2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride

C15H22Cl3N3O — CID 119908936

IUPAC2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(N)CC1.Cl
InChIInChI=1S/C15H21Cl2N3O.ClH/c1-19(9-11-2-3-13(16)14(17)8-11)15(21)10-20-6-4-12(18)5-7-20;/h2-3,8,12H,4-7,9-10,18H2,1H3;1H
InChIKeyZRMWYRLAQJZNRY-UHFFFAOYSA-N
MW366.72 g/mol
LogP2.80
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride

2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 119908936) has the molecular formula C15H22Cl3N3O and a molecular weight of 366.72 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
PubChem CID119908936
Molecular FormulaC15H22Cl3N3O
Molecular Weight366.72 g/mol
Exact Mass365.08
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(N)CC1.Cl
InChIInChI=1S/C15H21Cl2N3O.ClH/c1-19(9-11-2-3-13(16)14(17)8-11)15(21)10-20-6-4-12(18)5-7-20;/h2-3,8,12H,4-7,9-10,18H2,1H3;1H
InChIKeyZRMWYRLAQJZNRY-UHFFFAOYSA-N
XLogP2.80
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
2-(4-aminopiperidin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907892
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
CID 34785448
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773926
1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 154750842
2-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 78771137
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853094
2-(4-aminopiperidin-1-yl)-N-[(5-bromothiophen-3-yl)methyl]-N-methylacetamide
CID 79328638
2-cyclohexyl-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 112792431
2-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 167749495
(3R)-1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 42538132

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride (CID 119908936) is 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(N)CC1.Cl.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is ZRMWYRLAQJZNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O.ClH/c1-19(9-11-2-3-13(16)14(17)8-11)15(21)10-20-6-4-12(18)5-7-20;/h2-3,8,12H,4-7,9-10,18H2,1H3;1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 366.72 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119908936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).