N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide

C23H25FN4O — CID 90494541

IUPACN-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O/c24-21-8-6-18(7-9-21)16-26-23(29)27-13-10-19(11-14-27)17-28-15-12-25-22(28)20-4-2-1-3-5-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,26,29)
InChIKeyDJIQZSYCGITDKE-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 90494541) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
PubChem CID90494541
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H25FN4O/c24-21-8-6-18(7-9-21)16-26-23(29)27-13-10-19(11-14-27)17-28-15-12-25-22(28)20-4-2-1-3-5-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,26,29)
InChIKeyDJIQZSYCGITDKE-UHFFFAOYSA-N
XLogP4.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494538
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512
N-benzyl-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 71781180
(2-ethoxyphenyl)-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492963
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
3-(4-methoxyphenyl)-1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90493537
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 90492931

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide (CID 90494541) is N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is DJIQZSYCGITDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-21-8-6-18(7-9-21)16-26-23(29)27-13-10-19(11-14-27)17-28-15-12-25-22(28)20-4-2-1-3-5-20/h1-9,12,15,19H,10-11,13-14,16-17H2,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).