2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride

C13H29Cl2N3O — CID 119865894

IUPAC2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)NCCC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyRANFOXOXAAZXFQ-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.66
Rot. Bonds5

About 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride

2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride (PubChem CID 119865894) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
PubChem CID119865894
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC Name2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
SMILESCC(C)C(N)C(=O)NCCC1CCN(C)CC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H
InChIKeyRANFOXOXAAZXFQ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
(2S)-2-amino-3-methyl-N-[2-(3-methylcyclohexyl)ethyl]butanamide;hydrochloride
CID 119323315
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
2-amino-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]-3-oxopropanoic acid
CID 115179485
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
1-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119865912

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride (CID 119865894) is 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride is CC(C)C(N)C(=O)NCCC1CCN(C)CC1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
The InChIKey is RANFOXOXAAZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11;;/h10-12H,4-9,14H2,1-3H3,(H,15,17);2*1H.
What are the key properties of 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride?
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119865894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).