N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C13H26N2O — CID 165116548

IUPACN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCCCC(=O)N(C)CCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-5-13(16)15(3)11-8-12-6-9-14(2)10-7-12/h12H,4-11H2,1-3H3
InChIKeyIIBRXSDCUAEWPY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 165116548) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID165116548
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCCCC(=O)N(C)CCC1CCN(C)CC1
InChIInChI=1S/C13H26N2O/c1-4-5-13(16)15(3)11-8-12-6-9-14(2)10-7-12/h12H,4-11H2,1-3H3
InChIKeyIIBRXSDCUAEWPY-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158360
1,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 115169549
2-amino-N,2-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 115152812
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
ethyl 3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]-3-oxopropanoate
CID 115138668
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
2-[[methyl-[2-(1-methylpiperidin-4-yl)ethyl]amino]methyl]butanoic acid
CID 115250133
N-methyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]carbamoyl chloride
CID 115195122
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
2-amino-N,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115152814
1-(1-methylpiperidin-4-yl)pentan-2-one
CID 58553181
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 165116548) is N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CCCC(=O)N(C)CCC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is IIBRXSDCUAEWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-13(16)15(3)11-8-12-6-9-14(2)10-7-12/h12H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 165116548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).