2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide

C12H25N3O2 — CID 170730006

IUPAC2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCN1CCCC(CN(C)C(=O)C(O)N(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-13(2)11(16)12(17)15(4)9-10-6-5-7-14(3)8-10/h10-11,16H,5-9H2,1-4H3
InChIKeyWMASGGPABUXSJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.33
Rot. Bonds4

About 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide

2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide (PubChem CID 170730006) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
PubChem CID170730006
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
SMILESCN1CCCC(CN(C)C(=O)C(O)N(C)C)C1
InChIInChI=1S/C12H25N3O2/c1-13(2)11(16)12(17)15(4)9-10-6-5-7-14(3)8-10/h10-11,16H,5-9H2,1-4H3
InChIKeyWMASGGPABUXSJL-UHFFFAOYSA-N
XLogP-0.33
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
(2S)-2-amino-N,3,3-trimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide;dihydrochloride
CID 119855588
2-cyano-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115188639
2-amino-N,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pentanamide
CID 119855609
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]butanoic acid
CID 115186041
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
3-amino-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 64894600
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119855559
4-hydroxy-5-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]pentanoic acid
CID 115122756

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide (CID 170730006) is 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide is CN1CCCC(CN(C)C(=O)C(O)N(C)C)C1.
What is the InChIKey of 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
The InChIKey is WMASGGPABUXSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-13(2)11(16)12(17)15(4)9-10-6-5-7-14(3)8-10/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide?
2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-hydroxy-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide is sourced from PubChem (CID 170730006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).