1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

C26H32FN3O2 — CID 42849513

IUPAC1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)NCCN3CCCC3)CN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H32FN3O2/c1-19-6-4-7-20(16-19)24-11-10-22(25(31)28-12-15-29-13-2-3-14-29)18-30(24)26(32)21-8-5-9-23(27)17-21/h4-9,16-17,22,24H,2-3,10-15,18H2,1H3,(H,28,31)
InChIKeyQVERMAYXZLODGA-UHFFFAOYSA-N
MW437.56 g/mol
LogP3.94
Rot. Bonds6

About 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide

1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (PubChem CID 42849513) has the molecular formula C26H32FN3O2 and a molecular weight of 437.56 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
PubChem CID42849513
Molecular FormulaC26H32FN3O2
Molecular Weight437.56 g/mol
Exact Mass437.25
IUPAC Name1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)NCCN3CCCC3)CN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C26H32FN3O2/c1-19-6-4-7-20(16-19)24-11-10-22(25(31)28-12-15-29-13-2-3-14-29)18-30(24)26(32)21-8-5-9-23(27)17-21/h4-9,16-17,22,24H,2-3,10-15,18H2,1H3,(H,28,31)
InChIKeyQVERMAYXZLODGA-UHFFFAOYSA-N
XLogP3.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide (CID 42849513) is 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is Cc1cccc(C2CCC(C(=O)NCCN3CCCC3)CN2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is QVERMAYXZLODGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O2/c1-19-6-4-7-20(16-19)24-11-10-22(25(31)28-12-15-29-13-2-3-14-29)18-30(24)26(32)21-8-5-9-23(27)17-21/h4-9,16-17,22,24H,2-3,10-15,18H2,1H3,(H,28,31).
What are the key properties of 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide?
1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 437.56 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-6-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).