1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H23FN2O3 — CID 17223567

IUPAC1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O3/c19-15-4-1-3-14(11-15)18(23)21-8-6-13(7-9-21)17(22)20-12-16-5-2-10-24-16/h1,3-4,11,13,16H,2,5-10,12H2,(H,20,22)
InChIKeyGXFCVTAVEXPGRB-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.97
Rot. Bonds4

About 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 17223567) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID17223567
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN2O3/c19-15-4-1-3-14(11-15)18(23)21-8-6-13(7-9-21)17(22)20-12-16-5-2-10-24-16/h1,3-4,11,13,16H,2,5-10,12H2,(H,20,22)
InChIKeyGXFCVTAVEXPGRB-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 17223567) is 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GXFCVTAVEXPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-4-1-3-14(11-15)18(23)21-8-6-13(7-9-21)17(22)20-12-16-5-2-10-24-16/h1,3-4,11,13,16H,2,5-10,12H2,(H,20,22).
What are the key properties of 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).