2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C18H37Cl2N3O2 — CID 120800439

IUPAC2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-4-14-6-5-9-21(12-14)18(2,3)13-20-17(22)16(19)15-7-10-23-11-8-15;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H
InChIKeyNEOOLCKLKYNKIP-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.60
Rot. Bonds6

About 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800439) has the molecular formula C18H37Cl2N3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120800439
Molecular FormulaC18H37Cl2N3O2
Molecular Weight398.42 g/mol
Exact Mass397.23
IUPAC Name2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCCC1CCCN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C18H35N3O2.2ClH/c1-4-14-6-5-9-21(12-14)18(2,3)13-20-17(22)16(19)15-7-10-23-11-8-15;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H
InChIKeyNEOOLCKLKYNKIP-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799017
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(2-methoxy-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 120793782
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(methylamino)acetamide
CID 120704469
N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119884497
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
(2R)-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]piperidine-2-carboxamide
CID 119884432
2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-phenylpropanamide
CID 120596832
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800439) is 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CCC1CCCN(C(C)(C)CNC(=O)C(N)C2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is NEOOLCKLKYNKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2.2ClH/c1-4-14-6-5-9-21(12-14)18(2,3)13-20-17(22)16(19)15-7-10-23-11-8-15;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 398.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-ethylpiperidin-1-yl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).