N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide

C18H24FN5O2 — CID 31192018

IUPACN-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCOCc1cn(CC2CCN(C(=O)NCc3ccccc3F)CC2)nn1
InChIInChI=1S/C18H24FN5O2/c1-26-13-16-12-24(22-21-16)11-14-6-8-23(9-7-14)18(25)20-10-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3,(H,20,25)
InChIKeyOMDFHXJLJJTLPE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.19
Rot. Bonds6

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

N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (PubChem CID 31192018) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
PubChem CID31192018
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide
SMILESCOCc1cn(CC2CCN(C(=O)NCc3ccccc3F)CC2)nn1
InChIInChI=1S/C18H24FN5O2/c1-26-13-16-12-24(22-21-16)11-14-6-8-23(9-7-14)18(25)20-10-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3,(H,20,25)
InChIKeyOMDFHXJLJJTLPE-UHFFFAOYSA-N
XLogP2.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide (CID 31192018) is N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is COCc1cn(CC2CCN(C(=O)NCc3ccccc3F)CC2)nn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
The InChIKey is OMDFHXJLJJTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-26-13-16-12-24(22-21-16)11-14-6-8-23(9-7-14)18(25)20-10-15-4-2-3-5-17(15)19/h2-5,12,14H,6-11,13H2,1H3,(H,20,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 31192018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).