1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C25H29FN4O — CID 43917812

IUPAC1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1Cc1cccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H29FN4O/c1-19-27-11-14-30(19)18-22-4-2-3-21(15-22)16-28-25(31)23-9-12-29(13-10-23)17-20-5-7-24(26)8-6-20/h2-8,11,14-15,23H,9-10,12-13,16-18H2,1H3,(H,28,31)
InChIKeyJLECWNUEBYUJLX-UHFFFAOYSA-N
MW420.53 g/mol
LogP3.91
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 43917812) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID43917812
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nccn1Cc1cccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C25H29FN4O/c1-19-27-11-14-30(19)18-22-4-2-3-21(15-22)16-28-25(31)23-9-12-29(13-10-23)17-20-5-7-24(26)8-6-20/h2-8,11,14-15,23H,9-10,12-13,16-18H2,1H3,(H,28,31)
InChIKeyJLECWNUEBYUJLX-UHFFFAOYSA-N
XLogP3.91
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 43917632
1-[(3,4-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917722
1-[(2,6-dichlorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917470
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917335
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43928583
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
1-cyclopentyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]urea
CID 86992760
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917353
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 43917812) is 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is Cc1nccn1Cc1cccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is JLECWNUEBYUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-19-27-11-14-30(19)18-22-4-2-3-21(15-22)16-28-25(31)23-9-12-29(13-10-23)17-20-5-7-24(26)8-6-20/h2-8,11,14-15,23H,9-10,12-13,16-18H2,1H3,(H,28,31).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43917812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).