2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone

C19H24Cl2N2O — CID 15123220

IUPAC2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESC=C1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H24Cl2N2O/c1-14-7-9-22(12-14)13-16-4-2-3-8-23(16)19(24)11-15-5-6-17(20)18(21)10-15/h5-6,10,16H,1-4,7-9,11-13H2
InChIKeyYHUUDEBWXZFPLZ-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.18
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone

2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 15123220) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID15123220
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone
SMILESC=C1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C19H24Cl2N2O/c1-14-7-9-22(12-14)13-16-4-2-3-8-23(16)19(24)11-15-5-6-17(20)18(21)10-15/h5-6,10,16H,1-4,7-9,11-13H2
InChIKeyYHUUDEBWXZFPLZ-UHFFFAOYSA-N
XLogP4.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone (CID 15123220) is 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone is C=C1CCN(CC2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is YHUUDEBWXZFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c1-14-7-9-22(12-14)13-16-4-2-3-8-23(16)19(24)11-15-5-6-17(20)18(21)10-15/h5-6,10,16H,1-4,7-9,11-13H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone?
2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 367.32 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-[2-[(3-methylidenepyrrolidin-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 15123220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).