2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide

C28H32N4O2 — CID 110149843

IUPAC2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESO=C(CC1CCN(C(=O)C(c2ccccc2)C2CCCC2)CC1)Nc1ccc2nccnc2c1
InChIInChI=1S/C28H32N4O2/c33-26(31-23-10-11-24-25(19-23)30-15-14-29-24)18-20-12-16-32(17-13-20)28(34)27(22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-11,14-15,19-20,22,27H,4-5,8-9,12-13,16-18H2,(H,31,33)
InChIKeyMTSGWRPUWADDIP-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.17
Rot. Bonds6

About 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide

2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide (PubChem CID 110149843) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide.

Molecular Properties

Compound Name2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
PubChem CID110149843
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide
SMILESO=C(CC1CCN(C(=O)C(c2ccccc2)C2CCCC2)CC1)Nc1ccc2nccnc2c1
InChIInChI=1S/C28H32N4O2/c33-26(31-23-10-11-24-25(19-23)30-15-14-29-24)18-20-12-16-32(17-13-20)28(34)27(22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-11,14-15,19-20,22,27H,4-5,8-9,12-13,16-18H2,(H,31,33)
InChIKeyMTSGWRPUWADDIP-UHFFFAOYSA-N
XLogP5.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The IUPAC name of 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide (CID 110149843) is 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide.
What is the SMILES notation for 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The canonical SMILES for 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide is O=C(CC1CCN(C(=O)C(c2ccccc2)C2CCCC2)CC1)Nc1ccc2nccnc2c1.
What is the InChIKey of 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
The InChIKey is MTSGWRPUWADDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c33-26(31-23-10-11-24-25(19-23)30-15-14-29-24)18-20-12-16-32(17-13-20)28(34)27(22-8-4-5-9-22)21-6-2-1-3-7-21/h1-3,6-7,10-11,14-15,19-20,22,27H,4-5,8-9,12-13,16-18H2,(H,31,33).
What are the key properties of 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide?
2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide has a molecular weight of 456.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopentyl-2-phenylacetyl)piperidin-4-yl]-N-quinoxalin-6-ylacetamide is sourced from PubChem (CID 110149843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).