3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide

C21H22N4O3 — CID 55705286

IUPAC3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1occc1COc1ccccc1
InChIInChI=1S/C21H22N4O3/c26-20(19-16(9-14-27-19)15-28-18-5-2-1-3-6-18)24-17-7-12-25(13-8-17)21-22-10-4-11-23-21/h1-6,9-11,14,17H,7-8,12-13,15H2,(H,24,26)
InChIKeyYXWKFMMLKLNFBS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.05
Rot. Bonds6

About 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide

3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 55705286) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide
PubChem CID55705286
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1occc1COc1ccccc1
InChIInChI=1S/C21H22N4O3/c26-20(19-16(9-14-27-19)15-28-18-5-2-1-3-6-18)24-17-7-12-25(13-8-17)21-22-10-4-11-23-21/h1-6,9-11,14,17H,7-8,12-13,15H2,(H,24,26)
InChIKeyYXWKFMMLKLNFBS-UHFFFAOYSA-N
XLogP3.05
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide (CID 55705286) is 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide is O=C(NC1CCN(c2ncccn2)CC1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is YXWKFMMLKLNFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-20(19-16(9-14-27-19)15-28-18-5-2-1-3-6-18)24-17-7-12-25(13-8-17)21-22-10-4-11-23-21/h1-6,9-11,14,17H,7-8,12-13,15H2,(H,24,26).
What are the key properties of 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 55705286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).