2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride

C50H53Cl5N6O6 — CID 160612352

IUPAC2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCN(Cc3ccnc(N4C(=O)c5ccccc5C4=O)c3)CC2)CC1.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C32H30Cl2N4O4.C18H22Cl2N2O2.ClH/c33-24-16-23(17-25(34)18-24)29(39)21-8-13-37(14-9-21)30(40)22-6-11-36(12-7-22)19-20-5-10-35-28(15-20)38-31(41)26-3-1-2-4-27(26)32(38)42;19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;/h1-5,10,15-18,21-22H,6-9,11-14,19H2;9-13,21H,1-8H2;1H
InChIKeyJYKAOTRNAUOKCA-UHFFFAOYSA-N
MW1011.27 g/mol
LogP9.36
Rot. Bonds9

About 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride

2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 160612352) has the molecular formula C50H53Cl5N6O6 and a molecular weight of 1011.27 g/mol. Its IUPAC name is 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID160612352
Molecular FormulaC50H53Cl5N6O6
Molecular Weight1011.27 g/mol
Exact Mass1008.25
IUPAC Name2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCN(Cc3ccnc(N4C(=O)c5ccccc5C4=O)c3)CC2)CC1.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C32H30Cl2N4O4.C18H22Cl2N2O2.ClH/c33-24-16-23(17-25(34)18-24)29(39)21-8-13-37(14-9-21)30(40)22-6-11-36(12-7-22)19-20-5-10-35-28(15-20)38-31(41)26-3-1-2-4-27(26)32(38)42;19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;/h1-5,10,15-18,21-22H,6-9,11-14,19H2;9-13,21H,1-8H2;1H
InChIKeyJYKAOTRNAUOKCA-UHFFFAOYSA-N
XLogP9.36
TPSA140.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.27
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 160612352) is 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride is Cl.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCN(Cc3ccnc(N4C(=O)c5ccccc5C4=O)c3)CC2)CC1.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is JYKAOTRNAUOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Cl2N4O4.C18H22Cl2N2O2.ClH/c33-24-16-23(17-25(34)18-24)29(39)21-8-13-37(14-9-21)30(40)22-6-11-36(12-7-22)19-20-5-10-35-28(15-20)38-31(41)26-3-1-2-4-27(26)32(38)42;19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;/h1-5,10,15-18,21-22H,6-9,11-14,19H2;9-13,21H,1-8H2;1H.
What are the key properties of 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride?
2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 1011.27 g/mol, XLogP of 9.36, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-(3,5-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]methyl]-2-pyridinyl]isoindole-1,3-dione;(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 160612352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).