2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide

C15H31N3O — CID 114596342

IUPAC2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CC(C)(NC(C)C)C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-10(2)17-15(6,14(16)19)9-18-8-11(3)7-12(4)13(18)5/h10-13,17H,7-9H2,1-6H3,(H2,16,19)
InChIKeyPOBJYYFIKJGIGE-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide

2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (PubChem CID 114596342) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
PubChem CID114596342
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CC(C)(NC(C)C)C(N)=O)C1
InChIInChI=1S/C15H31N3O/c1-10(2)17-15(6,14(16)19)9-18-8-11(3)7-12(4)13(18)5/h10-13,17H,7-9H2,1-6H3,(H2,16,19)
InChIKeyPOBJYYFIKJGIGE-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
2,2-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoic acid
CID 114593995
2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596400
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)pentanoic acid
CID 114596369
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
2-methyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-ol
CID 114594601
2-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)propanamide
CID 79175461
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 2-amino-2-cyclopropyl-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596411
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
CID 114266437
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (CID 114596342) is 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is CC1CC(C)C(C)N(CC(C)(NC(C)C)C(N)=O)C1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The InChIKey is POBJYYFIKJGIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-10(2)17-15(6,14(16)19)9-18-8-11(3)7-12(4)13(18)5/h10-13,17H,7-9H2,1-6H3,(H2,16,19).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide has a molecular weight of 269.43 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 114596342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).