1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide

C24H33FN6O2 — CID 22958799

IUPAC1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide
SMILESO=C(NCCc1cncn1Cc1ccc(F)cc1)C1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C24H33FN6O2/c25-19-8-6-18(7-9-19)16-30-17-27-14-21(30)10-11-28-23(32)22-15-26-12-13-31(22)24(33)29-20-4-2-1-3-5-20/h6-9,14,17,20,22,26H,1-5,10-13,15-16H2,(H,28,32)(H,29,33)
InChIKeyVJIQYIBDZKCNPE-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.05
Rot. Bonds7

About 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide (PubChem CID 22958799) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide
PubChem CID22958799
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC Name1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide
SMILESO=C(NCCc1cncn1Cc1ccc(F)cc1)C1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C24H33FN6O2/c25-19-8-6-18(7-9-19)16-30-17-27-14-21(30)10-11-28-23(32)22-15-26-12-13-31(22)24(33)29-20-4-2-1-3-5-20/h6-9,14,17,20,22,26H,1-5,10-13,15-16H2,(H,28,32)(H,29,33)
InChIKeyVJIQYIBDZKCNPE-UHFFFAOYSA-N
XLogP2.05
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzyl-2-N-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide
CID 22958692
(2R)-2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexyl-4-[(4-hydroxyphenyl)methyl]piperazine-1,2-dicarboxamide
CID 10231601
2-N-[2-(3-benzylimidazol-4-yl)ethyl]-1-N-cyclohexyl-4-(2-cyclohexylethyl)piperazine-1,2-dicarboxamide
CID 22958783
methyl 4-[[5-[2-[[1-(cyclohexylcarbamoyl)-4-(2-cyclohexylethyl)piperazine-2-carbonyl]amino]ethyl]imidazol-1-yl]methyl]benzoate
CID 22958720
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperidine-3-carboxamide
CID 23291192
N-cyclohexyl-2-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476311
(2R)-4-[(4-acetamidophenyl)methyl]-2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide;(2R)-4-[(4-bromophenyl)methyl]-2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide;(2R)-4-[(4-chlorophenyl)methyl]-2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexylpiperazine-1,2-dicarboxamide;(2R)-2-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexyl-4-[[4-(dimethylamino)phenyl]methyl]piperazine-1,2-dicarboxamide;methyl 4-[[(3R)-3-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethylcarbamoyl]-4-(cyclohexylcarbamoyl)piperazin-1-yl]methyl]benzoate
CID 159898777
4-(2-cyclohexylethyl)-N-[2-[3-[(4-methylsulfanylphenyl)methyl]imidazol-4-yl]ethyl]-1-methylsulfonylpiperazine-2-carboxamide
CID 22958677
(6R)-4-[(4-acetamidophenyl)methyl]-6-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-N-cyclohexyl-4-azabicyclo[5.1.0]octane-1,6-dicarboxamide
CID 142004926
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-phenyl-2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 23291162
5-[4-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl-(4-fluorobenzoyl)amino]phenyl]-N-cyclohexylfuran-2-carboxamide
CID 91106196
N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 67582042

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide (CID 22958799) is 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide is O=C(NCCc1cncn1Cc1ccc(F)cc1)C1CNCCN1C(=O)NC1CCCCC1.
What is the InChIKey of 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide?
The InChIKey is VJIQYIBDZKCNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c25-19-8-6-18(7-9-19)16-30-17-27-14-21(30)10-11-28-23(32)22-15-26-12-13-31(22)24(33)29-20-4-2-1-3-5-20/h6-9,14,17,20,22,26H,1-5,10-13,15-16H2,(H,28,32)(H,29,33).
What are the key properties of 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-[2-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]ethyl]piperazine-1,2-dicarboxamide is sourced from PubChem (CID 22958799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).