N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H27N3O2 — CID 42522175

IUPACN-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-15-27(16-4-2)24(28)20-8-10-22(11-9-20)29-23-12-17-26(18-13-23)19-21-7-5-6-14-25-21/h1,4-11,14,23H,2,12-13,15-19H2
InChIKeyYKCZNRPGRIPXTH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.39
Rot. Bonds8

About N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 42522175) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID42522175
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESC#CCN(CC=C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
InChIInChI=1S/C24H27N3O2/c1-3-15-27(16-4-2)24(28)20-8-10-22(11-9-20)29-23-12-17-26(18-13-23)19-21-7-5-6-14-25-21/h1,4-11,14,23H,2,12-13,15-19H2
InChIKeyYKCZNRPGRIPXTH-UHFFFAOYSA-N
XLogP3.39
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 42522175) is N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is C#CCN(CC=C)C(=O)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1.
What is the InChIKey of N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is YKCZNRPGRIPXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-15-27(16-4-2)24(28)20-8-10-22(11-9-20)29-23-12-17-26(18-13-23)19-21-7-5-6-14-25-21/h1,4-11,14,23H,2,12-13,15-19H2.
What are the key properties of N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 389.50 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-prop-2-ynyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42522175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).