(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

C11H25Cl2N3O — CID 119841949

IUPAC(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESCCN1CCC(N(C)C(=O)[C@@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-4-14-7-5-10(6-8-14)13(3)11(15)9(2)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t9-;;/m1../s1
InChIKeyUUVBVPXBTRLDOX-KLQYNRQASA-N
MW286.25 g/mol
LogP1.12
Rot. Bonds3

About (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (PubChem CID 119841949) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
PubChem CID119841949
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESCCN1CCC(N(C)C(=O)[C@@H](C)N)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-4-14-7-5-10(6-8-14)13(3)11(15)9(2)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t9-;;/m1../s1
InChIKeyUUVBVPXBTRLDOX-KLQYNRQASA-N
XLogP1.12
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (CID 119841949) is (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride is CCN1CCC(N(C)C(=O)[C@@H](C)N)CC1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The InChIKey is UUVBVPXBTRLDOX-KLQYNRQASA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-4-14-7-5-10(6-8-14)13(3)11(15)9(2)12;;/h9-10H,4-8,12H2,1-3H3;2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).