N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C22H22N4O — CID 118450766

IUPACN-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C22H22N4O/c27-22(25-19-9-5-2-6-10-19)18-11-13-26(14-12-18)20-15-23-16-24-21(20)17-7-3-1-4-8-17/h1-10,15-16,18H,11-14H2,(H,25,27)
InChIKeyGVFAFNVKEMBJLY-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.00
Rot. Bonds4

About N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 118450766) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID118450766
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC NameN-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C22H22N4O/c27-22(25-19-9-5-2-6-10-19)18-11-13-26(14-12-18)20-15-23-16-24-21(20)17-7-3-1-4-8-17/h1-10,15-16,18H,11-14H2,(H,25,27)
InChIKeyGVFAFNVKEMBJLY-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 118450766) is N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2cncnc2-c2ccccc2)CC1.
What is the InChIKey of N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is GVFAFNVKEMBJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(25-19-9-5-2-6-10-19)18-11-13-26(14-12-18)20-15-23-16-24-21(20)17-7-3-1-4-8-17/h1-10,15-16,18H,11-14H2,(H,25,27).
What are the key properties of N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).