1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

C26H30FN5O2 — CID 20886884

IUPAC1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C26H30FN5O2/c27-21-5-3-4-18(16-21)17-32-23-7-2-1-6-22(23)29-26(32)31-14-10-20(11-15-31)25(34)30-12-8-19(9-13-30)24(28)33/h1-7,16,19-20H,8-15,17H2,(H2,28,33)
InChIKeyXWSOGTUVEMUXFQ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.16
Rot. Bonds5

About 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 20886884) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID20886884
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C26H30FN5O2/c27-21-5-3-4-18(16-21)17-32-23-7-2-1-6-22(23)29-26(32)31-14-10-20(11-15-31)25(34)30-12-8-19(9-13-30)24(28)33/h1-7,16,19-20H,8-15,17H2,(H2,28,33)
InChIKeyXWSOGTUVEMUXFQ-UHFFFAOYSA-N
XLogP3.16
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 20886884) is 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2CCN(c3nc4ccccc4n3Cc3cccc(F)c3)CC2)CC1.
What is the InChIKey of 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is XWSOGTUVEMUXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c27-21-5-3-4-18(16-21)17-32-23-7-2-1-6-22(23)29-26(32)31-14-10-20(11-15-31)25(34)30-12-8-19(9-13-30)24(28)33/h1-7,16,19-20H,8-15,17H2,(H2,28,33).
What are the key properties of 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 20886884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).