1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide

C24H28FN5O2 — CID 86954919

IUPAC1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C2C(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CCCN2C)cc1
InChIInChI=1S/C24H28FN5O2/c1-16-22(27-28-30(16)20-10-8-19(25)9-11-20)24(31)26-15-18-5-4-14-29(2)23(18)17-6-12-21(32-3)13-7-17/h6-13,18,23H,4-5,14-15H2,1-3H3,(H,26,31)
InChIKeySPFZGUJNHOWKOM-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide

1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide (PubChem CID 86954919) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
PubChem CID86954919
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
SMILESCOc1ccc(C2C(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CCCN2C)cc1
InChIInChI=1S/C24H28FN5O2/c1-16-22(27-28-30(16)20-10-8-19(25)9-11-20)24(31)26-15-18-5-4-14-29(2)23(18)17-6-12-21(32-3)13-7-17/h6-13,18,23H,4-5,14-15H2,1-3H3,(H,26,31)
InChIKeySPFZGUJNHOWKOM-UHFFFAOYSA-N
XLogP3.54
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 86955004
3-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]propanamide
CID 86954890
1-(4-methoxyphenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]pyrazole-3-carboxamide
CID 86954875
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
N-[[(2S,3S)-2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]piperidine-4-carboxamide
CID 124687962
1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 172906652
4-(5-amino-4-cyanopyrazol-1-yl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]benzamide
CID 86958515
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-2-methylsulfanylpyridine-4-carboxamide
CID 86954874
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-4-methylsulfinylbenzamide
CID 86958503
4-acetyl-3-ethyl-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyl-1H-pyrrole-2-carboxamide
CID 86954989
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86955067

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide (CID 86954919) is 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide is COc1ccc(C2C(CNC(=O)c3nnn(-c4ccc(F)cc4)c3C)CCCN2C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is SPFZGUJNHOWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16-22(27-28-30(16)20-10-8-19(25)9-11-20)24(31)26-15-18-5-4-14-29(2)23(18)17-6-12-21(32-3)13-7-17/h6-13,18,23H,4-5,14-15H2,1-3H3,(H,26,31).
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide?
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 86954919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).