(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

C16H20Cl2N2O — CID 116559770

IUPAC(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(10-14(13)18)16(21)15-2-1-9-20(15)12-5-7-19-8-6-12/h3-4,10,12,15,19H,1-2,5-9H2
InChIKeyVHIGKLMJYFBECW-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.39
Rot. Bonds3

About (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone

(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (PubChem CID 116559770) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
PubChem CID116559770
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCN1C1CCNCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-4-3-11(10-14(13)18)16(21)15-2-1-9-20(15)12-5-7-19-8-6-12/h3-4,10,12,15,19H,1-2,5-9H2
InChIKeyVHIGKLMJYFBECW-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone (CID 116559770) is (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCCN1C1CCNCC1.
What is the InChIKey of (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
The InChIKey is VHIGKLMJYFBECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-4-3-11(10-14(13)18)16(21)15-2-1-9-20(15)12-5-7-19-8-6-12/h3-4,10,12,15,19H,1-2,5-9H2.
What are the key properties of (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone?
(3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone has a molecular weight of 327.25 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 116559770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).