N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide

C13H27N3O — CID 63644074

IUPACN-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-10(12(17)15-13(2,3)4)16(5)11-7-6-8-14-9-11/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyABXOWZCRXCBLDH-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.97
Rot. Bonds3

About N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide

N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide (PubChem CID 63644074) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
PubChem CID63644074
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)C1CCCNC1
InChIInChI=1S/C13H27N3O/c1-10(12(17)15-13(2,3)4)16(5)11-7-6-8-14-9-11/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyABXOWZCRXCBLDH-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63643925
N-tert-butyl-2-[ethyl(piperidin-3-yl)amino]propanamide
CID 55244726
N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122141
N,N-diethyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 55248539
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
N-tert-butyl-2-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304566
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
(3R)-N-methyl-N-propan-2-ylpiperidin-3-amine;dihydrochloride
CID 135207468
2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
CID 66188303
N,3,4,4-tetramethyl-N-piperidin-3-ylpentanamide
CID 63833926
N-(3-methoxypropyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301691

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide (CID 63644074) is N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide is CC(C(=O)NC(C)(C)C)N(C)C1CCCNC1.
What is the InChIKey of N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide?
The InChIKey is ABXOWZCRXCBLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(12(17)15-13(2,3)4)16(5)11-7-6-8-14-9-11/h10-11,14H,6-9H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide?
N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl(piperidin-3-yl)amino]propanamide is sourced from PubChem (CID 63644074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).