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

C14H29N3O — CID 61204053

IUPACN-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCC(CNC)C1
InChIInChI=1S/C14H29N3O/c1-4-5-8-16-14(18)12(2)17-9-6-7-13(11-17)10-15-3/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyWNIZOCOFDUCKDX-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.22
Rot. Bonds7

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

N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide (PubChem CID 61204053) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
PubChem CID61204053
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
SMILESCCCCNC(=O)C(C)N1CCCC(CNC)C1
InChIInChI=1S/C14H29N3O/c1-4-5-8-16-14(18)12(2)17-9-6-7-13(11-17)10-15-3/h12-13,15H,4-11H2,1-3H3,(H,16,18)
InChIKeyWNIZOCOFDUCKDX-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.22
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-(methylamino)piperidin-1-yl]propanamide
CID 55086301
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-propylpropanamide
CID 63849842
N-cyclopropyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide
CID 61204430
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
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
2-methyl-3-[3-(methylaminomethyl)piperidin-1-yl]butanehydrazide
CID 79409445
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-pentylpropanamide
CID 115647932
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-prop-2-enylpropanamide
CID 63267346
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylpropanamide
CID 102977439
N-cyclopentyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide;hydrochloride
CID 119922095

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide (CID 61204053) is N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide is CCCCNC(=O)C(C)N1CCCC(CNC)C1.
What is the InChIKey of N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
The InChIKey is WNIZOCOFDUCKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-5-8-16-14(18)12(2)17-9-6-7-13(11-17)10-15-3/h12-13,15H,4-11H2,1-3H3,(H,16,18).
What are the key properties of N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide?
N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(methylaminomethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 61204053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).