(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone

C20H28N2O — CID 59686436

IUPAC(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone
SMILESCc1ccc(/C=C/C2CCN(C(=O)C3(N)CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O/c1-16-4-6-17(7-5-16)8-9-18-10-14-22(15-11-18)19(23)20(21)12-2-3-13-20/h4-9,18H,2-3,10-15,21H2,1H3/b9-8+
InChIKeyMMELPGZUDAGBLC-CMDGGOBGSA-N
MW312.46 g/mol
LogP3.52
Rot. Bonds3

About (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone

(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone (PubChem CID 59686436) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone
PubChem CID59686436
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone
SMILESCc1ccc(/C=C/C2CCN(C(=O)C3(N)CCCC3)CC2)cc1
InChIInChI=1S/C20H28N2O/c1-16-4-6-17(7-5-16)8-9-18-10-14-22(15-11-18)19(23)20(21)12-2-3-13-20/h4-9,18H,2-3,10-15,21H2,1H3/b9-8+
InChIKeyMMELPGZUDAGBLC-CMDGGOBGSA-N
XLogP3.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone (CID 59686436) is (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone is Cc1ccc(/C=C/C2CCN(C(=O)C3(N)CCCC3)CC2)cc1.
What is the InChIKey of (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone?
The InChIKey is MMELPGZUDAGBLC-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H28N2O/c1-16-4-6-17(7-5-16)8-9-18-10-14-22(15-11-18)19(23)20(21)12-2-3-13-20/h4-9,18H,2-3,10-15,21H2,1H3/b9-8+.
What are the key properties of (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone?
(1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone has a molecular weight of 312.46 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-[4-[(E)-2-(4-methylphenyl)ethenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 59686436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).