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

C16H20FN5O — CID 71893369

IUPACN-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C16H20FN5O/c1-21-11-19-20-15(21)13-5-3-7-22(10-13)16(23)18-9-12-4-2-6-14(17)8-12/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,18,23)
InChIKeyVWJDTHLMOYKAIT-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.04
Rot. Bonds3

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

N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 71893369) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID71893369
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCc2cccc(F)c2)C1
InChIInChI=1S/C16H20FN5O/c1-21-11-19-20-15(21)13-5-3-7-22(10-13)16(23)18-9-12-4-2-6-14(17)8-12/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,18,23)
InChIKeyVWJDTHLMOYKAIT-UHFFFAOYSA-N
XLogP2.04
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 71893369) is N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is Cn1cnnc1C1CCCN(C(=O)NCc2cccc(F)c2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VWJDTHLMOYKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c1-21-11-19-20-15(21)13-5-3-7-22(10-13)16(23)18-9-12-4-2-6-14(17)8-12/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3,(H,18,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).