2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride

C14H31Cl2N3O — CID 119863256

IUPAC2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-6-5-7-17(9-11)10-13(3)16-14(18)12(2)8-15-4;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H
InChIKeyZYXIJVKQZIQTNB-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride (PubChem CID 119863256) has the molecular formula C14H31Cl2N3O and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
PubChem CID119863256
Molecular FormulaC14H31Cl2N3O
Molecular Weight328.33 g/mol
Exact Mass327.18
IUPAC Name2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC(C)CN1CCCC(C)C1.Cl.Cl
InChIInChI=1S/C14H29N3O.2ClH/c1-11-6-5-7-17(9-11)10-13(3)16-14(18)12(2)8-15-4;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H
InChIKeyZYXIJVKQZIQTNB-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
N-(4-cyclohexylbutan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119791225
7-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]heptanamide;dihydrochloride
CID 119863212
1-cyano-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 47418559
1-(2-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110933354
1-(4-hydroxycyclohexyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 110903659
1-(3-hydroxy-4-methylpentyl)-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 111505217

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride (CID 119863256) is 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride is CNCC(C)C(=O)NC(C)CN1CCCC(C)C1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride?
The InChIKey is ZYXIJVKQZIQTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.2ClH/c1-11-6-5-7-17(9-11)10-13(3)16-14(18)12(2)8-15-4;;/h11-13,15H,5-10H2,1-4H3,(H,16,18);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride has a molecular weight of 328.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119863256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).