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

C18H24FN5O — CID 139007024

IUPAC4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ncnn1C
InChIInChI=1S/C18H24FN5O/c1-13(17-20-12-21-23(17)2)22-18(25)24-8-6-14(7-9-24)10-15-4-3-5-16(19)11-15/h3-5,11-14H,6-10H2,1-2H3,(H,22,25)
InChIKeySVTHTTGRPQRBHH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.68
Rot. Bonds4

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

4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 139007024) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID139007024
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ncnn1C
InChIInChI=1S/C18H24FN5O/c1-13(17-20-12-21-23(17)2)22-18(25)24-8-6-14(7-9-24)10-15-4-3-5-16(19)11-15/h3-5,11-14H,6-10H2,1-2H3,(H,22,25)
InChIKeySVTHTTGRPQRBHH-UHFFFAOYSA-N
XLogP2.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590778
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
4-[[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021549
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
CID 71919535
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 56816044
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
N-[4-(3-fluorophenyl)butan-2-yl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 86788751

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 139007024) is 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCC(Cc2cccc(F)c2)CC1)c1ncnn1C.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is SVTHTTGRPQRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13(17-20-12-21-23(17)2)22-18(25)24-8-6-14(7-9-24)10-15-4-3-5-16(19)11-15/h3-5,11-14H,6-10H2,1-2H3,(H,22,25).
What are the key properties of 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 139007024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).