2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride

C13H26ClN3O2 — CID 120554584

IUPAC2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CNC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9-7-14-6-5-10(9)16-11(17)8-15-12(18)13(2,3)4;/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17);1H
InChIKeyNRJZVYLMCUSEHR-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.68
Rot. Bonds3

About 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride

2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride (PubChem CID 120554584) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
PubChem CID120554584
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CNC(=O)C(C)(C)C.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-9-7-14-6-5-10(9)16-11(17)8-15-12(18)13(2,3)4;/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17);1H
InChIKeyNRJZVYLMCUSEHR-UHFFFAOYSA-N
XLogP0.68
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride
CID 120554749
3,4,4-trimethyl-N-(3-methylpiperidin-4-yl)pentanamide
CID 79886443
N'-(3-methylpiperidin-4-yl)-N-propylbutanediamide;hydrochloride
CID 120557551
2-(diethylamino)-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120553416
N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]-2-(trifluoromethyl)benzamide
CID 120555735
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
3,4-dichloro-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]benzamide
CID 120555666
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452
N'-(3-methylpiperidin-4-yl)-N-propylpentanediamide
CID 120554463
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride (CID 120554584) is 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride is CC1CNCCC1NC(=O)CNC(=O)C(C)(C)C.Cl.
What is the InChIKey of 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is NRJZVYLMCUSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-9-7-14-6-5-10(9)16-11(17)8-15-12(18)13(2,3)4;/h9-10,14H,5-8H2,1-4H3,(H,15,18)(H,16,17);1H.
What are the key properties of 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride?
2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(3-methylpiperidin-4-yl)amino]-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 120554584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).