N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide

C12H25N3O — CID 63892274

IUPACN-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
SMILESCNC(=O)CCCNCC1CCCN(C)C1
InChIInChI=1S/C12H25N3O/c1-13-12(16)6-3-7-14-9-11-5-4-8-15(2)10-11/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyGBAPHPCQGLCNMO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds6

About N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide

N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide (PubChem CID 63892274) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
PubChem CID63892274
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide
SMILESCNC(=O)CCCNCC1CCCN(C)C1
InChIInChI=1S/C12H25N3O/c1-13-12(16)6-3-7-14-9-11-5-4-8-15(2)10-11/h11,14H,3-10H2,1-2H3,(H,13,16)
InChIKeyGBAPHPCQGLCNMO-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
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

N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]propan-1-amine
CID 115215684
N'-hydroxy-4-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032158
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
N-methyl-4-(oxan-3-ylmethylamino)butanamide
CID 63890126
N-[(1-methylpiperidin-3-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 62656970
N-methyl-4-[(1-methylpyrrolidin-3-yl)amino]butanamide
CID 63892267
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butane-1,4-diamine
CID 62657185
N,N-diethyl-3-[(1-methylpiperidin-3-yl)methylamino]propanamide
CID 62658117
N',N'-diethyl-N-[(1-methylpiperidin-3-yl)methyl]propane-1,3-diamine
CID 55099792
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide?
The IUPAC name of N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide (CID 63892274) is N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide.
What is the SMILES notation for N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide?
The canonical SMILES for N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide is CNC(=O)CCCNCC1CCCN(C)C1.
What is the InChIKey of N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide?
The InChIKey is GBAPHPCQGLCNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-13-12(16)6-3-7-14-9-11-5-4-8-15(2)10-11/h11,14H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide?
N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methylpiperidin-3-yl)methylamino]butanamide is sourced from PubChem (CID 63892274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).