N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide

C17H26N2O — CID 5074234

IUPACN-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChIKeyYWZXRDGRFOKYLH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds3

About N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide

N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide (PubChem CID 5074234) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
PubChem CID5074234
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)
InChIKeyYWZXRDGRFOKYLH-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide (CID 5074234) is N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide?
The InChIKey is YWZXRDGRFOKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)16(20)18-15-9-11-19(12-10-15)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide?
N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 5074234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).