1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

C24H27FN4O — CID 43917523

IUPAC1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H27FN4O/c25-23-9-2-1-7-21(23)16-28-11-4-8-22(17-28)24(30)27-14-19-5-3-6-20(13-19)15-29-12-10-26-18-29/h1-3,5-7,9-10,12-13,18,22H,4,8,11,14-17H2,(H,27,30)
InChIKeyINDGMQFHVCQRJA-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.60
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide

1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 43917523) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID43917523
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cn2ccnc2)c1)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C24H27FN4O/c25-23-9-2-1-7-21(23)16-28-11-4-8-22(17-28)24(30)27-14-19-5-3-6-20(13-19)15-29-12-10-26-18-29/h1-3,5-7,9-10,12-13,18,22H,4,8,11,14-17H2,(H,27,30)
InChIKeyINDGMQFHVCQRJA-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917325
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43917361
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929842
1-(2,2-dimethylpropanoyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 47998553
1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43925987
1-[(2,4-dichlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917427
(4R)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 94144419
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide (CID 43917523) is 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1cccc(Cn2ccnc2)c1)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is INDGMQFHVCQRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c25-23-9-2-1-7-21(23)16-28-11-4-8-22(17-28)24(30)27-14-19-5-3-6-20(13-19)15-29-12-10-26-18-29/h1-3,5-7,9-10,12-13,18,22H,4,8,11,14-17H2,(H,27,30).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43917523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).