3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

C23H24ClN3O3 — CID 45488466

IUPAC3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccco1)c1ccc(OC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C23H24ClN3O3/c24-21-14-18(23(28)26-15-20-2-1-13-29-20)3-4-22(21)30-19-7-11-27(12-8-19)16-17-5-9-25-10-6-17/h1-6,9-10,13-14,19H,7-8,11-12,15-16H2,(H,26,28)
InChIKeyAFLOIQNAJDTOQR-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.30
Rot. Bonds7

About 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45488466) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID45488466
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccco1)c1ccc(OC2CCN(Cc3ccncc3)CC2)c(Cl)c1
InChIInChI=1S/C23H24ClN3O3/c24-21-14-18(23(28)26-15-20-2-1-13-29-20)3-4-22(21)30-19-7-11-27(12-8-19)16-17-5-9-25-10-6-17/h1-6,9-10,13-14,19H,7-8,11-12,15-16H2,(H,26,28)
InChIKeyAFLOIQNAJDTOQR-UHFFFAOYSA-N
XLogP4.30
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (CID 45488466) is 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCc1ccco1)c1ccc(OC2CCN(Cc3ccncc3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is AFLOIQNAJDTOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c24-21-14-18(23(28)26-15-20-2-1-13-29-20)3-4-22(21)30-19-7-11-27(12-8-19)16-17-5-9-25-10-6-17/h1-6,9-10,13-14,19H,7-8,11-12,15-16H2,(H,26,28).
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 425.92 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-4-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45488466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).