N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

C27H36FN5O — CID 20882877

IUPACN-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H36FN5O/c1-3-31(4-2)17-7-16-29-26(34)22-14-18-32(19-15-22)27-30-24-8-5-6-9-25(24)33(27)20-21-10-12-23(28)13-11-21/h5-6,8-13,22H,3-4,7,14-20H2,1-2H3,(H,29,34)
InChIKeyOKSOYSOOTZWTED-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.29
Rot. Bonds10

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

N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (PubChem CID 20882877) has the molecular formula C27H36FN5O and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
PubChem CID20882877
Molecular FormulaC27H36FN5O
Molecular Weight465.62 g/mol
Exact Mass465.29
IUPAC NameN-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C27H36FN5O/c1-3-31(4-2)17-7-16-29-26(34)22-14-18-32(19-15-22)27-30-24-8-5-6-9-25(24)33(27)20-21-10-12-23(28)13-11-21/h5-6,8-13,22H,3-4,7,14-20H2,1-2H3,(H,29,34)
InChIKeyOKSOYSOOTZWTED-UHFFFAOYSA-N
XLogP4.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 20882882
N-[3-(diethylamino)propyl]-1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20883034
N-[2-(N-ethylanilino)ethyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882940
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-4-carboxamide
CID 92716313
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981643
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20886844
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[3-(diethylamino)propyl]piperidine-3-carboxamide
CID 53070172
N-[2-(2,5-dimethoxyphenyl)ethyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide
CID 20882892
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 90040854

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide (CID 20882877) is N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
The InChIKey is OKSOYSOOTZWTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN5O/c1-3-31(4-2)17-7-16-29-26(34)22-14-18-32(19-15-22)27-30-24-8-5-6-9-25(24)33(27)20-21-10-12-23(28)13-11-21/h5-6,8-13,22H,3-4,7,14-20H2,1-2H3,(H,29,34).
What are the key properties of N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 20882877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).