2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

C19H31N3O — CID 120774348

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCC(N)C(C)(C)C2)c(C)c1
InChIInChI=1S/C19H31N3O/c1-12-9-13(2)17(14(3)10-12)21-18(23)15(4)22-8-7-16(20)19(5,6)11-22/h9-10,15-16H,7-8,11,20H2,1-6H3,(H,21,23)
InChIKeyDWFBSHVIDPYCTH-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 120774348) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID120774348
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)N2CCC(N)C(C)(C)C2)c(C)c1
InChIInChI=1S/C19H31N3O/c1-12-9-13(2)17(14(3)10-12)21-18(23)15(4)22-8-7-16(20)19(5,6)11-22/h9-10,15-16H,7-8,11,20H2,1-6H3,(H,21,23)
InChIKeyDWFBSHVIDPYCTH-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide (CID 120774348) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)N2CCC(N)C(C)(C)C2)c(C)c1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is DWFBSHVIDPYCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-12-9-13(2)17(14(3)10-12)21-18(23)15(4)22-8-7-16(20)19(5,6)11-22/h9-10,15-16H,7-8,11,20H2,1-6H3,(H,21,23).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 317.48 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 120774348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).