2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide

C16H20Cl2N2O — CID 119442332

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H20Cl2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeySHIVZDMLYQTIKG-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.31
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide

2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide (PubChem CID 119442332) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
PubChem CID119442332
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C16H20Cl2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3
InChIKeySHIVZDMLYQTIKG-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide (CID 119442332) is 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide is CN(C(=O)C1CC1c1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
The InChIKey is SHIVZDMLYQTIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-20(11-4-6-19-7-5-11)16(21)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13,19H,4-7,9H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide?
2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide has a molecular weight of 327.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 119442332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).