2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride

C13H29Cl2N3O — CID 119859839

IUPAC2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
SMILESCC(CNC(=O)C(C)(C)N)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11(9-15-12(17)13(2,3)14)10-16-7-5-4-6-8-16;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeyBUAAPZKPQVDHQR-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.81
Rot. Bonds5

About 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride

2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride (PubChem CID 119859839) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
PubChem CID119859839
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride
SMILESCC(CNC(=O)C(C)(C)N)CN1CCCCC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-11(9-15-12(17)13(2,3)14)10-16-7-5-4-6-8-16;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeyBUAAPZKPQVDHQR-UHFFFAOYSA-N
XLogP1.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide
CID 54906617
2-bromo-2-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 114328650
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 103929423
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
2-amino-4-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pentanamide
CID 54906759
2-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 62992796
2-methoxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 106110143
3-amino-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoic acid
CID 64897097
methyl 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-2-oxoacetate
CID 112617205

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride (CID 119859839) is 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride is CC(CNC(=O)C(C)(C)N)CN1CCCCC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride?
The InChIKey is BUAAPZKPQVDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-11(9-15-12(17)13(2,3)14)10-16-7-5-4-6-8-16;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride?
2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)propanamide;dihydrochloride is sourced from PubChem (CID 119859839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).