3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

C23H27N3O3 — CID 24790180

IUPAC3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESC=CCCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-3-10-22(27)26-14-11-20(12-15-26)29-21-9-6-7-18(16-21)23(28)25-17-19-8-4-5-13-24-19/h2,4-9,13,16,20H,1,3,10-12,14-15,17H2,(H,25,28)
InChIKeyFVZWHPVCCQHCMD-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.35
Rot. Bonds8

About 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24790180) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24790180
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESC=CCCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-3-10-22(27)26-14-11-20(12-15-26)29-21-9-6-7-18(16-21)23(28)25-17-19-8-4-5-13-24-19/h2,4-9,13,16,20H,1,3,10-12,14-15,17H2,(H,25,28)
InChIKeyFVZWHPVCCQHCMD-UHFFFAOYSA-N
XLogP3.35
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24790180) is 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is C=CCCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccn3)c2)CC1.
What is the InChIKey of 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is FVZWHPVCCQHCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-3-10-22(27)26-14-11-20(12-15-26)29-21-9-6-7-18(16-21)23(28)25-17-19-8-4-5-13-24-19/h2,4-9,13,16,20H,1,3,10-12,14-15,17H2,(H,25,28).
What are the key properties of 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pent-4-enoylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24790180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).