N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide

C13H27N3O — CID 55086301

IUPACN-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCC(NC)C1
InChIInChI=1S/C13H27N3O/c1-4-5-8-15-13(17)11(2)16-9-6-7-12(10-16)14-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKIPXWNKQUAWTQU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds6

About N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide

N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide (PubChem CID 55086301) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
PubChem CID55086301
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCC(NC)C1
InChIInChI=1S/C13H27N3O/c1-4-5-8-15-13(17)11(2)16-9-6-7-12(10-16)14-3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyKIPXWNKQUAWTQU-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
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-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204053
2-(3-aminopyrrolidin-1-yl)-N-butylpropanamide
CID 62068647
N-butyl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62370682
2-(3-aminoazetidin-1-yl)-N-butylpropanamide
CID 63760897
N-butyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63854643
(3S)-1-[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl]-N-hexylpiperidine-3-carboxamide
CID 52504181
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-N-butylpropanamide
CID 80553344
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide (CID 55086301) is N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCCC(NC)C1.
What is the InChIKey of N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide?
The InChIKey is KIPXWNKQUAWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-5-8-15-13(17)11(2)16-9-6-7-12(10-16)14-3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide?
N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(methylamino)piperidin-1-yl]propanamide is sourced from PubChem (CID 55086301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).