N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride

C19H33Cl2N3O — CID 119835872

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCCN(CC)Cc1ccc(CNC(=O)CC2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-18-7-5-17(6-8-18)14-21-19(23)13-16-9-11-20-12-10-16;;/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,21,23);2*1H
InChIKeyZBJFORUIZIGRKV-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.38
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119835872) has the molecular formula C19H33Cl2N3O and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119835872
Molecular FormulaC19H33Cl2N3O
Molecular Weight390.40 g/mol
Exact Mass389.20
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCCN(CC)Cc1ccc(CNC(=O)CC2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-18-7-5-17(6-8-18)14-21-19(23)13-16-9-11-20-12-10-16;;/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,21,23);2*1H
InChIKeyZBJFORUIZIGRKV-UHFFFAOYSA-N
XLogP3.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-piperidin-4-ylacetamide
CID 115160672
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
N-[3-(diethylamino)propyl]-2-piperidin-4-ylacetamide
CID 24707221
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31610326
N-ethyl-N-[[4-[(piperidin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 80553737
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-piperidin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
CID 90261944
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119673168

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride (CID 119835872) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride is CCN(CC)Cc1ccc(CNC(=O)CC2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is ZBJFORUIZIGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.2ClH/c1-3-22(4-2)15-18-7-5-17(6-8-18)14-21-19(23)13-16-9-11-20-12-10-16;;/h5-8,16,20H,3-4,9-15H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 390.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119835872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).