1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide

C25H29FN4O2 — CID 55791171

IUPAC1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-18-28-22-7-2-3-8-23(22)30(18)15-5-13-27-25(32)20-6-4-14-29(17-20)24(31)16-19-9-11-21(26)12-10-19/h2-3,7-12,20H,4-6,13-17H2,1H3,(H,27,32)
InChIKeyZTGMDGMJLSHDPQ-UHFFFAOYSA-N
MW436.53 g/mol
LogP3.47
Rot. Bonds7

About 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide (PubChem CID 55791171) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide
PubChem CID55791171
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C25H29FN4O2/c1-18-28-22-7-2-3-8-23(22)30(18)15-5-13-27-25(32)20-6-4-14-29(17-20)24(31)16-19-9-11-21(26)12-10-19/h2-3,7-12,20H,4-6,13-17H2,1H3,(H,27,32)
InChIKeyZTGMDGMJLSHDPQ-UHFFFAOYSA-N
XLogP3.47
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 55451025
1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 55824177
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55743212
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclohexanecarboxamide
CID 111351936
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxoacetamide
CID 125141826
(2S,4S)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 120632096
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55958398
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 20886797
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide (CID 55791171) is 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide is Cc1nc2ccccc2n1CCCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide?
The InChIKey is ZTGMDGMJLSHDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-18-28-22-7-2-3-8-23(22)30(18)15-5-13-27-25(32)20-6-4-14-29(17-20)24(31)16-19-9-11-21(26)12-10-19/h2-3,7-12,20H,4-6,13-17H2,1H3,(H,27,32).
What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide?
1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)acetyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 55791171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).