N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C33H37N7O2 — CID 172890771

IUPACN-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(N3CCC(NC(=O)CN4CCN(c5ncccn5)CC4)CC3)nc2)cc1
InChIInChI=1S/C33H37N7O2/c1-42-28-10-7-25(8-11-28)29-5-2-3-6-30(29)26-9-12-31(36-23-26)39-17-13-27(14-18-39)37-32(41)24-38-19-21-40(22-20-38)33-34-15-4-16-35-33/h2-12,15-16,23,27H,13-14,17-22,24H2,1H3,(H,37,41)
InChIKeyFBPMPKRMIQAXCR-UHFFFAOYSA-N
MW563.71 g/mol
LogP4.12
Rot. Bonds8

About N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 172890771) has the molecular formula C33H37N7O2 and a molecular weight of 563.71 g/mol. Its IUPAC name is N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID172890771
Molecular FormulaC33H37N7O2
Molecular Weight563.71 g/mol
Exact Mass563.30
IUPAC NameN-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(-c2ccccc2-c2ccc(N3CCC(NC(=O)CN4CCN(c5ncccn5)CC4)CC3)nc2)cc1
InChIInChI=1S/C33H37N7O2/c1-42-28-10-7-25(8-11-28)29-5-2-3-6-30(29)26-9-12-31(36-23-26)39-17-13-27(14-18-39)37-32(41)24-38-19-21-40(22-20-38)33-34-15-4-16-35-33/h2-12,15-16,23,27H,13-14,17-22,24H2,1H3,(H,37,41)
InChIKeyFBPMPKRMIQAXCR-UHFFFAOYSA-N
XLogP4.12
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.71
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide 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-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 172890771) is N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is COc1ccc(-c2ccccc2-c2ccc(N3CCC(NC(=O)CN4CCN(c5ncccn5)CC4)CC3)nc2)cc1.
What is the InChIKey of N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is FBPMPKRMIQAXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N7O2/c1-42-28-10-7-25(8-11-28)29-5-2-3-6-30(29)26-9-12-31(36-23-26)39-17-13-27(14-18-39)37-32(41)24-38-19-21-40(22-20-38)33-34-15-4-16-35-33/h2-12,15-16,23,27H,13-14,17-22,24H2,1H3,(H,37,41).
What are the key properties of N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 563.71 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 172890771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).