N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide

C23H30N2O — CID 2729530

IUPACN-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-21-13-15-25(16-14-21)17-18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H,24,26)
InChIKeyYWIODUZHNKRKCF-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.38
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide

N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide (PubChem CID 2729530) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide
PubChem CID2729530
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-21-13-15-25(16-14-21)17-18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H,24,26)
InChIKeyYWIODUZHNKRKCF-UHFFFAOYSA-N
XLogP4.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.38
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)-4-tert-butylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide (CID 2729530) is N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide?
The InChIKey is YWIODUZHNKRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-23(2,3)20-11-9-19(10-12-20)22(26)24-21-13-15-25(16-14-21)17-18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide?
N-(1-benzylpiperidin-4-yl)-4-tert-butylbenzamide has a molecular weight of 350.51 g/mol, XLogP of 4.38, 4 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)-4-tert-butylbenzamide is sourced from PubChem (CID 2729530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).