(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide

C26H25FN4O — CID 124786185

IUPAC(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN4O/c27-20-12-14-22(15-13-20)31-24-11-5-4-10-23(24)29-25(31)18-30-16-6-7-19(17-30)26(32)28-21-8-2-1-3-9-21/h1-5,8-15,19H,6-7,16-18H2,(H,28,32)/t19-/m0/s1
InChIKeyQTYBPISDLYCFRR-IBGZPJMESA-N
MW428.51 g/mol
LogP5.02
Rot. Bonds5

About (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 124786185) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID124786185
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1
InChIInChI=1S/C26H25FN4O/c27-20-12-14-22(15-13-20)31-24-11-5-4-10-23(24)29-25(31)18-30-16-6-7-19(17-30)26(32)28-21-8-2-1-3-9-21/h1-5,8-15,19H,6-7,16-18H2,(H,28,32)/t19-/m0/s1
InChIKeyQTYBPISDLYCFRR-IBGZPJMESA-N
XLogP5.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124785999
(3R)-N-(3-chloro-4-fluorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124781343
(3S)-N-(3-chloro-4-fluorophenyl)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124781342
(3S)-N-(4-bromophenyl)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124786075
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 124824680
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3S)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 124805511
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124783119
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3S)-N,N-dicyclohexyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124916392
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide (CID 124786185) is (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is QTYBPISDLYCFRR-IBGZPJMESA-N. The full InChI is InChI=1S/C26H25FN4O/c27-20-12-14-22(15-13-20)31-24-11-5-4-10-23(24)29-25(31)18-30-16-6-7-19(17-30)26(32)28-21-8-2-1-3-9-21/h1-5,8-15,19H,6-7,16-18H2,(H,28,32)/t19-/m0/s1.
What are the key properties of (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 124786185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).