N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide

C34H41FN4O3 — CID 10371523

IUPACN-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCn3c(=O)n(C)c4ccccc43)CC2)cc1
InChIInChI=1S/C34H41FN4O3/c1-25(2)42-30-15-11-26(12-16-30)23-33(40)39(24-27-9-13-28(35)14-10-27)29-17-21-37(22-18-29)19-6-20-38-32-8-5-4-7-31(32)36(3)34(38)41/h4-5,7-16,25,29H,6,17-24H2,1-3H3
InChIKeyRDUPZDJLDOJGMD-UHFFFAOYSA-N
MW572.73 g/mol
LogP5.39
Rot. Bonds11

About N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide

N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 10371523) has the molecular formula C34H41FN4O3 and a molecular weight of 572.73 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide
PubChem CID10371523
Molecular FormulaC34H41FN4O3
Molecular Weight572.73 g/mol
Exact Mass572.32
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCn3c(=O)n(C)c4ccccc43)CC2)cc1
InChIInChI=1S/C34H41FN4O3/c1-25(2)42-30-15-11-26(12-16-30)23-33(40)39(24-27-9-13-28(35)14-10-27)29-17-21-37(22-18-29)19-6-20-38-32-8-5-4-7-31(32)36(3)34(38)41/h4-5,7-16,25,29H,6,17-24H2,1-3H3
InChIKeyRDUPZDJLDOJGMD-UHFFFAOYSA-N
XLogP5.39
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.73
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide (CID 10371523) is N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCn3c(=O)n(C)c4ccccc43)CC2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is RDUPZDJLDOJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41FN4O3/c1-25(2)42-30-15-11-26(12-16-30)23-33(40)39(24-27-9-13-28(35)14-10-27)29-17-21-37(22-18-29)19-6-20-38-32-8-5-4-7-31(32)36(3)34(38)41/h4-5,7-16,25,29H,6,17-24H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide?
N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 572.73 g/mol, XLogP of 5.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-[3-(3-methyl-2-oxobenzimidazol-1-yl)propyl]piperidin-4-yl]-2-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 10371523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).