N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide

C13H27N3O — CID 122080829

IUPACN-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(C)(C)N)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-10(11-5-4-6-15-8-11)7-12(17)16-9-13(2,3)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyZLJLOFWVGPKSRI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.87
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide

N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide (PubChem CID 122080829) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
PubChem CID122080829
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCC(C)(C)N)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-10(11-5-4-6-15-8-11)7-12(17)16-9-13(2,3)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyZLJLOFWVGPKSRI-UHFFFAOYSA-N
XLogP0.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81044622
N-(2-methyl-2-methylsulfanylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119790992
3-piperidin-3-yl-N-(thian-4-ylmethyl)butanamide
CID 115738728
N-(2-methyl-2-morpholin-4-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119830210
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
N-(2-oxo-2-piperidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 115738352
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide (CID 122080829) is N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NCC(C)(C)N)C1CCCNC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide?
The InChIKey is ZLJLOFWVGPKSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(11-5-4-6-15-8-11)7-12(17)16-9-13(2,3)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide?
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 122080829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).