2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide

C13H27N3O — CID 106636555

IUPAC2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(C)CC1CCCNC1
InChIInChI=1S/C13H27N3O/c1-4-7-15-13(17)11(2)16(3)10-12-6-5-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyIXBFVBOCIVBQPH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds6

About 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide

2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide (PubChem CID 106636555) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
PubChem CID106636555
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(C)CC1CCCNC1
InChIInChI=1S/C13H27N3O/c1-4-7-15-13(17)11(2)16(3)10-12-6-5-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyIXBFVBOCIVBQPH-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

2-[methyl(piperidin-3-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106636671
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106636258
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
N-(3-methylbutyl)-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640908
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
N-pentan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]propanamide
CID 106640714
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
N-methyl-2-[piperidin-3-ylmethyl(propyl)amino]-N-propan-2-ylacetamide
CID 106640901
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 106640094
N-(butylcarbamoyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636505
1-methoxy-N-methyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 61452791

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide (CID 106636555) is 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(C)CC1CCCNC1.
What is the InChIKey of 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide?
The InChIKey is IXBFVBOCIVBQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-7-15-13(17)11(2)16(3)10-12-6-5-8-14-9-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide?
2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide 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 2-[methyl(piperidin-3-ylmethyl)amino]-N-propylpropanamide is sourced from PubChem (CID 106636555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).