4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide

C12H25N3O — CID 83014404

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCNN1C(C)CCCC1C
InChIInChI=1S/C12H25N3O/c1-10-6-4-7-11(2)15(10)14-9-5-8-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyOBSXOOPYSQOMCZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.28
Rot. Bonds5

About 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide

4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide (PubChem CID 83014404) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide
PubChem CID83014404
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide
SMILESCNC(=O)CCCNN1C(C)CCCC1C
InChIInChI=1S/C12H25N3O/c1-10-6-4-7-11(2)15(10)14-9-5-8-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16)
InChIKeyOBSXOOPYSQOMCZ-UHFFFAOYSA-N
XLogP1.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyldiazinan-3-one
CID 44277055
1-Octyl-tetrahydro-pyridazin-3-one
CID 44277241
2-Cyclohexyl-6-methyldiazinan-3-one
CID 12368565
N-(2-ethylpiperidin-1-yl)acetamide
CID 20981420
N-(1-aminopiperidin-4-yl)propanamide
CID 89140087
1-(Propan-2-ylamino)piperidine-4-carboxamide
CID 91244902
1-amino-N-butan-2-ylpiperidine-4-carboxamide
CID 118258535
N-piperidin-4-ylpropanehydrazide
CID 118895889
4-[Methyl-[1-(methylamino)piperidin-4-yl]amino]butanamide
CID 123922611
1-(Propan-2-ylamino)piperidin-2-one
CID 130717801
N-[4-(methylamino)piperidin-1-yl]acetamide
CID 138751426
3-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanehydrazide
CID 2360214

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide (CID 83014404) is 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide is CNC(=O)CCCNN1C(C)CCCC1C.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide?
The InChIKey is OBSXOOPYSQOMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-6-4-7-11(2)15(10)14-9-5-8-12(16)13-3/h10-11,14H,4-9H2,1-3H3,(H,13,16).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide?
4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]-N-methylbutanamide is sourced from PubChem (CID 83014404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).