3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride

C13H29Cl2N3O — CID 119834906

IUPAC3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)C(C)(C)CN)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-4-7-16-8-5-11(6-9-16)15-12(17)13(2,3)10-14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeySZAHGUBWNTXHQE-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.81
Rot. Bonds5

About 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride

3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 119834906) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID119834906
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCCCN1CCC(NC(=O)C(C)(C)CN)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-4-7-16-8-5-11(6-9-16)15-12(17)13(2,3)10-14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H
InChIKeySZAHGUBWNTXHQE-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-3,3,3-trifluoro-2-methyl-N-(1-propylpiperidin-4-yl)propanamide
CID 79805453
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
CID 119864814
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
2-(4-aminopiperidin-1-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 79328634
3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111019734
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-chloro-2,2-dimethylpropanamide
CID 63680196

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride (CID 119834906) is 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride is CCCN1CCC(NC(=O)C(C)(C)CN)CC1.Cl.Cl.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is SZAHGUBWNTXHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-4-7-16-8-5-11(6-9-16)15-12(17)13(2,3)10-14;;/h11H,4-10,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride?
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)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 3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119834906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).