3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide

C22H28N2O — CID 894420

IUPAC3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)23-22(25)13-16-24-14-11-20(12-15-24)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeySGSVTCJUBQIDLH-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.28
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide (PubChem CID 894420) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
PubChem CID894420
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)23-22(25)13-16-24-14-11-20(12-15-24)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)
InChIKeySGSVTCJUBQIDLH-UHFFFAOYSA-N
XLogP4.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide (CID 894420) is 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
The InChIKey is SGSVTCJUBQIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-18-7-9-21(10-8-18)23-22(25)13-16-24-14-11-20(12-15-24)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 894420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).