(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide

C26H34N2O — CID 94778934

IUPAC(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N2O/c1-20-11-13-23(14-12-20)25(26(29)27-24-9-5-6-10-24)28-17-15-22(16-18-28)19-21-7-3-2-4-8-21/h2-4,7-8,11-14,22,24-25H,5-6,9-10,15-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyYMGNMILANIBKAG-VWLOTQADSA-N
MW390.57 g/mol
LogP5.05
Rot. Bonds6

About (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide

(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide (PubChem CID 94778934) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
PubChem CID94778934
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
SMILESCc1ccc([C@@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N2O/c1-20-11-13-23(14-12-20)25(26(29)27-24-9-5-6-10-24)28-17-15-22(16-18-28)19-21-7-3-2-4-8-21/h2-4,7-8,11-14,22,24-25H,5-6,9-10,15-19H2,1H3,(H,27,29)/t25-/m0/s1
InChIKeyYMGNMILANIBKAG-VWLOTQADSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide (CID 94778934) is (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide is Cc1ccc([C@@H](C(=O)NC2CCCC2)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
The InChIKey is YMGNMILANIBKAG-VWLOTQADSA-N. The full InChI is InChI=1S/C26H34N2O/c1-20-11-13-23(14-12-20)25(26(29)27-24-9-5-6-10-24)28-17-15-22(16-18-28)19-21-7-3-2-4-8-21/h2-4,7-8,11-14,22,24-25H,5-6,9-10,15-19H2,1H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide?
(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide has a molecular weight of 390.57 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 94778934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).