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

C14H29N3O — CID 114596400

IUPAC2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-9(2)16-13(14(15)18)8-17-7-10(3)6-11(4)12(17)5/h9-13,16H,6-8H2,1-5H3,(H2,15,18)
InChIKeyHKWAKZGRILYFEE-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.20
Rot. Bonds5

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

2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (PubChem CID 114596400) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
PubChem CID114596400
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)C(C)N(CC(NC(C)C)C(N)=O)C1
InChIInChI=1S/C14H29N3O/c1-9(2)16-13(14(15)18)8-17-7-10(3)6-11(4)12(17)5/h9-13,16H,6-8H2,1-5H3,(H2,15,18)
InChIKeyHKWAKZGRILYFEE-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
2-methyl-1-phenyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114596662
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594142
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
methyl 2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596359
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114593868
methyl 2-(cyclopropylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butanoate
CID 114596367
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
(2R)-2-amino-1-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 104939664
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The IUPAC name of 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide (CID 114596400) is 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The canonical SMILES for 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is CC1CC(C)C(C)N(CC(NC(C)C)C(N)=O)C1.
What is the InChIKey of 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
The InChIKey is HKWAKZGRILYFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-9(2)16-13(14(15)18)8-17-7-10(3)6-11(4)12(17)5/h9-13,16H,6-8H2,1-5H3,(H2,15,18).
What are the key properties of 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide?
2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 114596400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).