1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C23H25F3N4O — CID 124830464

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCn1c(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H25F3N4O/c1-2-30-20-9-4-3-8-19(20)28-21(30)15-29-12-10-16(11-13-29)22(31)27-18-7-5-6-17(14-18)23(24,25)26/h3-9,14,16H,2,10-13,15H2,1H3,(H,27,31)
InChIKeyBAQBFQYWCPJKBU-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.93
Rot. Bonds5

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

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 124830464) has the molecular formula C23H25F3N4O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID124830464
Molecular FormulaC23H25F3N4O
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCn1c(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C23H25F3N4O/c1-2-30-20-9-4-3-8-19(20)28-21(30)15-29-12-10-16(11-13-29)22(31)27-18-7-5-6-17(14-18)23(24,25)26/h3-9,14,16H,2,10-13,15H2,1H3,(H,27,31)
InChIKeyBAQBFQYWCPJKBU-UHFFFAOYSA-N
XLogP4.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 124830464) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCn1c(CN2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BAQBFQYWCPJKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O/c1-2-30-20-9-4-3-8-19(20)28-21(30)15-29-12-10-16(11-13-29)22(31)27-18-7-5-6-17(14-18)23(24,25)26/h3-9,14,16H,2,10-13,15H2,1H3,(H,27,31).
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 124830464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).