2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone

C23H32Cl2N2O — CID 90708161

IUPAC2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone
SMILESO=C(C(c1ccc(Cl)c(Cl)c1)C1CCCC1)[C@H]1CCCCN1C1CCNCC1
InChIInChI=1S/C23H32Cl2N2O/c24-19-9-8-17(15-20(19)25)22(16-5-1-2-6-16)23(28)21-7-3-4-14-27(21)18-10-12-26-13-11-18/h8-9,15-16,18,21-22,26H,1-7,10-14H2/t21-,22?/m1/s1
InChIKeyDOODSUNMACRFJY-ZMFCMNQTSA-N
MW423.43 g/mol
LogP5.44
Rot. Bonds5

About 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone

2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone (PubChem CID 90708161) has the molecular formula C23H32Cl2N2O and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone
PubChem CID90708161
Molecular FormulaC23H32Cl2N2O
Molecular Weight423.43 g/mol
Exact Mass422.19
IUPAC Name2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone
SMILESO=C(C(c1ccc(Cl)c(Cl)c1)C1CCCC1)[C@H]1CCCCN1C1CCNCC1
InChIInChI=1S/C23H32Cl2N2O/c24-19-9-8-17(15-20(19)25)22(16-5-1-2-6-16)23(28)21-7-3-4-14-27(21)18-10-12-26-13-11-18/h8-9,15-16,18,21-22,26H,1-7,10-14H2/t21-,22?/m1/s1
InChIKeyDOODSUNMACRFJY-ZMFCMNQTSA-N
XLogP5.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone?
The IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone (CID 90708161) is 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone is O=C(C(c1ccc(Cl)c(Cl)c1)C1CCCC1)[C@H]1CCCCN1C1CCNCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone?
The InChIKey is DOODSUNMACRFJY-ZMFCMNQTSA-N. The full InChI is InChI=1S/C23H32Cl2N2O/c24-19-9-8-17(15-20(19)25)22(16-5-1-2-6-16)23(28)21-7-3-4-14-27(21)18-10-12-26-13-11-18/h8-9,15-16,18,21-22,26H,1-7,10-14H2/t21-,22?/m1/s1.
What are the key properties of 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone?
2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone has a molecular weight of 423.43 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-dichlorophenyl)-1-[(2R)-1-piperidin-4-ylpiperidin-2-yl]ethanone is sourced from PubChem (CID 90708161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).