1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide

C24H24Cl2N4O — CID 46948521

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N4O/c25-20-5-1-17(2-6-20)16-30-13-9-19(10-14-30)24(31)29-23(22-15-27-11-12-28-22)18-3-7-21(26)8-4-18/h1-8,11-12,15,19,23H,9-10,13-14,16H2,(H,29,31)
InChIKeyUYTKZDVOMMYUBW-UHFFFAOYSA-N
MW455.39 g/mol
LogP4.90
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 46948521) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide
PubChem CID46948521
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H24Cl2N4O/c25-20-5-1-17(2-6-20)16-30-13-9-19(10-14-30)24(31)29-23(22-15-27-11-12-28-22)18-3-7-21(26)8-4-18/h1-8,11-12,15,19,23H,9-10,13-14,16H2,(H,29,31)
InChIKeyUYTKZDVOMMYUBW-UHFFFAOYSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide (CID 46948521) is 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1cnccn1)C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is UYTKZDVOMMYUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c25-20-5-1-17(2-6-20)16-30-13-9-19(10-14-30)24(31)29-23(22-15-27-11-12-28-22)18-3-7-21(26)8-4-18/h1-8,11-12,15,19,23H,9-10,13-14,16H2,(H,29,31).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-chlorophenyl)-pyrazin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46948521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).