(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane

C20H28Cl2N2O2 — CID 142137705

IUPAC(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane
SMILESCC.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C18H22Cl2N2O2.C2H6/c19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;1-2/h9-13,21H,1-8H2;1-2H3
InChIKeyJTWRWRCFHXIMMJ-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.44
Rot. Bonds3

About (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane

(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane (PubChem CID 142137705) has the molecular formula C20H28Cl2N2O2 and a molecular weight of 399.36 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane
PubChem CID142137705
Molecular FormulaC20H28Cl2N2O2
Molecular Weight399.36 g/mol
Exact Mass398.15
IUPAC Name(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane
SMILESCC.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C18H22Cl2N2O2.C2H6/c19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;1-2/h9-13,21H,1-8H2;1-2H3
InChIKeyJTWRWRCFHXIMMJ-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane?
The IUPAC name of (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane (CID 142137705) is (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane.
What is the SMILES notation for (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane?
The canonical SMILES for (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane is CC.O=C(c1cc(Cl)cc(Cl)c1)C1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane?
The InChIKey is JTWRWRCFHXIMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O2.C2H6/c19-15-9-14(10-16(20)11-15)17(23)12-3-7-22(8-4-12)18(24)13-1-5-21-6-2-13;1-2/h9-13,21H,1-8H2;1-2H3.
What are the key properties of (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane?
(3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane has a molecular weight of 399.36 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;ethane is sourced from PubChem (CID 142137705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).