2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide

C21H35N3O — CID 169180335

IUPAC2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)N1CCC(c2ccccc2N(C)C)CC1
InChIInChI=1S/C21H35N3O/c1-16(2)15-22-20(25)21(3,4)24-13-11-17(12-14-24)18-9-7-8-10-19(18)23(5)6/h7-10,16-17H,11-15H2,1-6H3,(H,22,25)
InChIKeySWCKWJPGVJXTHQ-UHFFFAOYSA-N
MW345.53 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide

2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 169180335) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID169180335
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)N1CCC(c2ccccc2N(C)C)CC1
InChIInChI=1S/C21H35N3O/c1-16(2)15-22-20(25)21(3,4)24-13-11-17(12-14-24)18-9-7-8-10-19(18)23(5)6/h7-10,16-17H,11-15H2,1-6H3,(H,22,25)
InChIKeySWCKWJPGVJXTHQ-UHFFFAOYSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide (CID 169180335) is 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)N1CCC(c2ccccc2N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is SWCKWJPGVJXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-16(2)15-22-20(25)21(3,4)24-13-11-17(12-14-24)18-9-7-8-10-19(18)23(5)6/h7-10,16-17H,11-15H2,1-6H3,(H,22,25).
What are the key properties of 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 345.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 169180335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).