4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide

C16H18N4O — CID 12622318

IUPAC4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H18N4O/c21-16(18-14-5-4-8-17-13-14)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,21)
InChIKeyRERGRSVMRVIYMN-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.44
Rot. Bonds2

About 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide

4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide (PubChem CID 12622318) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide
PubChem CID12622318
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H18N4O/c21-16(18-14-5-4-8-17-13-14)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,21)
InChIKeyRERGRSVMRVIYMN-UHFFFAOYSA-N
XLogP2.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide (CID 12622318) is 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide is O=C(Nc1cccnc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide?
The InChIKey is RERGRSVMRVIYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(18-14-5-4-8-17-13-14)20-11-9-19(10-12-20)15-6-2-1-3-7-15/h1-8,13H,9-12H2,(H,18,21).
What are the key properties of 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide?
4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-pyridin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 12622318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).