2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C17H36Cl2N4O2 — CID 120798977

IUPAC2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCN1CCC(CNC(=O)C(N)C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C17H34N4O2.2ClH/c1-20(2)9-10-21-7-3-14(4-8-21)13-19-17(22)16(18)15-5-11-23-12-6-15;;/h14-16H,3-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyGJCWFYYQQGZSCD-UHFFFAOYSA-N
MW399.41 g/mol
LogP0.97
Rot. Bonds7

About 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120798977) has the molecular formula C17H36Cl2N4O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120798977
Molecular FormulaC17H36Cl2N4O2
Molecular Weight399.41 g/mol
Exact Mass398.22
IUPAC Name2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCN(C)CCN1CCC(CNC(=O)C(N)C2CCOCC2)CC1.Cl.Cl
InChIInChI=1S/C17H34N4O2.2ClH/c1-20(2)9-10-21-7-3-14(4-8-21)13-19-17(22)16(18)15-5-11-23-12-6-15;;/h14-16H,3-13,18H2,1-2H3,(H,19,22);2*1H
InChIKeyGJCWFYYQQGZSCD-UHFFFAOYSA-N
XLogP0.97
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride with MolForge

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Related Compounds

2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120798468
2-amino-2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120798463
2-amino-N-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120800182
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799495
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxan-4-yl)acetamide
CID 120797192
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]morpholine-3-carboxamide
CID 119862675
2-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797875
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119862726
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120798977) is 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is CN(C)CCN1CCC(CNC(=O)C(N)C2CCOCC2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is GJCWFYYQQGZSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.2ClH/c1-20(2)9-10-21-7-3-14(4-8-21)13-19-17(22)16(18)15-5-11-23-12-6-15;;/h14-16H,3-13,18H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 399.41 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120798977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).