2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

C24H26FN5O2 — CID 134800078

IUPAC2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C24H26FN5O2/c1-32-21-8-6-19(7-9-21)27-22-10-13-26-24(29-22)30-14-11-20(12-15-30)28-23(31)16-17-2-4-18(25)5-3-17/h2-10,13,20H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyHJOPMJVOLBYUKX-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.70
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (PubChem CID 134800078) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
PubChem CID134800078
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C24H26FN5O2/c1-32-21-8-6-19(7-9-21)27-22-10-13-26-24(29-22)30-14-11-20(12-15-30)28-23(31)16-17-2-4-18(25)5-3-17/h2-10,13,20H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29)
InChIKeyHJOPMJVOLBYUKX-UHFFFAOYSA-N
XLogP3.70
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide (CID 134800078) is 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is COc1ccc(Nc2ccnc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is HJOPMJVOLBYUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-32-21-8-6-19(7-9-21)27-22-10-13-26-24(29-22)30-14-11-20(12-15-30)28-23(31)16-17-2-4-18(25)5-3-17/h2-10,13,20H,11-12,14-16H2,1H3,(H,28,31)(H,26,27,29).
What are the key properties of 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 435.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 134800078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).