N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride

C13H29Cl2N3O — CID 119841952

IUPACN-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN1CCC(N(C)C(=O)C(C)CNC)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-5-16-8-6-12(7-9-16)15(4)13(17)11(2)10-14-3;;/h11-12,14H,5-10H2,1-4H3;2*1H
InChIKeyCDMLTSSMRQFMIZ-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.63
Rot. Bonds5

About N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride

N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119841952) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119841952
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride
SMILESCCN1CCC(N(C)C(=O)C(C)CNC)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-5-16-8-6-12(7-9-16)15(4)13(17)11(2)10-14-3;;/h11-12,14H,5-10H2,1-4H3;2*1H
InChIKeyCDMLTSSMRQFMIZ-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride (CID 119841952) is N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride is CCN1CCC(N(C)C(=O)C(C)CNC)CC1.Cl.Cl.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is CDMLTSSMRQFMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-5-16-8-6-12(7-9-16)15(4)13(17)11(2)10-14-3;;/h11-12,14H,5-10H2,1-4H3;2*1H.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride?
N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119841952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).