N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C17H22FN5O — CID 71894028

IUPACN-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C17H22FN5O/c1-22-12-20-21-16(22)14-6-4-10-23(11-14)17(24)19-9-8-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,24)
InChIKeyRQKBQVBMWMAGPD-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71894028) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71894028
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C17H22FN5O/c1-22-12-20-21-16(22)14-6-4-10-23(11-14)17(24)19-9-8-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,24)
InChIKeyRQKBQVBMWMAGPD-UHFFFAOYSA-N
XLogP2.09
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71894028) is N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1cnnc1C1CCCN(C(=O)NCCc2ccccc2F)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is RQKBQVBMWMAGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-22-12-20-21-16(22)14-6-4-10-23(11-14)17(24)19-9-8-13-5-2-3-7-15(13)18/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H,19,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71894028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).