N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

C18H24FN5O — CID 56781103

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C18H24FN5O/c1-22(10-15-5-7-16(19)8-6-15)18(25)12-23-9-3-2-4-17(23)11-24-14-20-13-21-24/h5-8,13-14,17H,2-4,9-12H2,1H3
InChIKeyKVPCVLYFLQZQHO-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.93
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 56781103) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID56781103
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCN(Cc1ccc(F)cc1)C(=O)CN1CCCCC1Cn1cncn1
InChIInChI=1S/C18H24FN5O/c1-22(10-15-5-7-16(19)8-6-15)18(25)12-23-9-3-2-4-17(23)11-24-14-20-13-21-24/h5-8,13-14,17H,2-4,9-12H2,1H3
InChIKeyKVPCVLYFLQZQHO-UHFFFAOYSA-N
XLogP1.93
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 56781103) is N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is CN(Cc1ccc(F)cc1)C(=O)CN1CCCCC1Cn1cncn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is KVPCVLYFLQZQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-22(10-15-5-7-16(19)8-6-15)18(25)12-23-9-3-2-4-17(23)11-24-14-20-13-21-24/h5-8,13-14,17H,2-4,9-12H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 345.42 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56781103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).