2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide

C13H27N3O — CID 60820142

IUPAC2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCNC1CCN(C(C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-13(17)11(3)16-7-5-12(14-4)6-8-16/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyZEFIXXINWBTRDG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 60820142) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID60820142
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
SMILESCNC1CCN(C(C)C(=O)NCC(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)9-15-13(17)11(3)16-7-5-12(14-4)6-8-16/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyZEFIXXINWBTRDG-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-[4-(methylamino)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 60820308
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
(2S)-N-(2-methylpropyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 94411156
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
CID 119924545
2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]-N-prop-2-enylpropanamide
CID 63849477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide (CID 60820142) is 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide is CNC1CCN(C(C)C(=O)NCC(C)C)CC1.
What is the InChIKey of 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is ZEFIXXINWBTRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)9-15-13(17)11(3)16-7-5-12(14-4)6-8-16/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide?
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 60820142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).