N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C22H22N4O2 — CID 647007

IUPACN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H22N4O2/c27-21(17-6-4-15-26(16-17)22-23-13-5-14-24-22)25-18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-3,5,7-14,17H,4,6,15-16H2,(H,25,27)
InChIKeyUROSSZFQQINFKF-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.12
Rot. Bonds5

About N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 647007) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID647007
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C22H22N4O2/c27-21(17-6-4-15-26(16-17)22-23-13-5-14-24-22)25-18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-3,5,7-14,17H,4,6,15-16H2,(H,25,27)
InChIKeyUROSSZFQQINFKF-UHFFFAOYSA-N
XLogP4.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 647007) is N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is UROSSZFQQINFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(17-6-4-15-26(16-17)22-23-13-5-14-24-22)25-18-9-11-20(12-10-18)28-19-7-2-1-3-8-19/h1-3,5,7-14,17H,4,6,15-16H2,(H,25,27).
What are the key properties of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 647007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).