3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide

C23H30N2O — CID 14762590

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-21-10-6-7-11-22(21)24-23(26)14-17-25-15-12-20(13-16-25)18-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,24,26)
InChIKeyPGUJYTCXPVJDRD-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.53
Rot. Bonds7

About 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide (PubChem CID 14762590) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide
PubChem CID14762590
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-2-21-10-6-7-11-22(21)24-23(26)14-17-25-15-12-20(13-16-25)18-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,24,26)
InChIKeyPGUJYTCXPVJDRD-UHFFFAOYSA-N
XLogP4.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.53
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-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide (CID 14762590) is 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide?
The InChIKey is PGUJYTCXPVJDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-2-21-10-6-7-11-22(21)24-23(26)14-17-25-15-12-20(13-16-25)18-19-8-4-3-5-9-19/h3-11,20H,2,12-18H2,1H3,(H,24,26).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(2-ethylphenyl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.53, 7 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-(2-ethylphenyl)propanamide is sourced from PubChem (CID 14762590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).