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

C13H27N3O — CID 63891364

IUPACN-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
SMILESCNC(=O)CCCN1CCCC(C(C)NC)C1
InChIInChI=1S/C13H27N3O/c1-11(14-2)12-6-4-8-16(10-12)9-5-7-13(17)15-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyUIMMUAPEEOSGSE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

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

N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide (PubChem CID 63891364) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
PubChem CID63891364
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide
SMILESCNC(=O)CCCN1CCCC(C(C)NC)C1
InChIInChI=1S/C13H27N3O/c1-11(14-2)12-6-4-8-16(10-12)9-5-7-13(17)15-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyUIMMUAPEEOSGSE-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701930
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
1-[1-(3,3-dimethylbutyl)piperidin-3-yl]-N-methylethanamine
CID 63855330
N-cyclopropyl-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63854794
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
3-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 62324485
N-methyl-1-[1-(3-phenoxypropyl)piperidin-3-yl]ethanamine
CID 63854102
N-methyl-3-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]propanamide
CID 96566413
N-ethyl-1-(1-pentylpiperidin-3-yl)ethanamine
CID 63852706

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide?
The IUPAC name of N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide (CID 63891364) is N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide is CNC(=O)CCCN1CCCC(C(C)NC)C1.
What is the InChIKey of N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide?
The InChIKey is UIMMUAPEEOSGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(14-2)12-6-4-8-16(10-12)9-5-7-13(17)15-3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide?
N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 63891364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).