4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide

C23H23ClN4O — CID 56672629

IUPAC4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O/c24-20-10-8-18(9-11-20)22(19-5-4-12-25-17-19)27-13-15-28(16-14-27)23(29)26-21-6-2-1-3-7-21/h1-12,17,22H,13-16H2,(H,26,29)
InChIKeyCQUVTRGORUXZOW-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.67
Rot. Bonds4

About 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 56672629) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID56672629
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23ClN4O/c24-20-10-8-18(9-11-20)22(19-5-4-12-25-17-19)27-13-15-28(16-14-27)23(29)26-21-6-2-1-3-7-21/h1-12,17,22H,13-16H2,(H,26,29)
InChIKeyCQUVTRGORUXZOW-UHFFFAOYSA-N
XLogP4.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide (CID 56672629) is 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is CQUVTRGORUXZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-10-8-18(9-11-20)22(19-5-4-12-25-17-19)27-13-15-28(16-14-27)23(29)26-21-6-2-1-3-7-21/h1-12,17,22H,13-16H2,(H,26,29).
What are the key properties of 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-pyridin-3-ylmethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 56672629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).