(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide

C24H29N3O3 — CID 134458728

IUPAC(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C24H29N3O3/c28-22-9-2-1-8-21(22)24(30)27-16-12-19(13-17-27)6-3-4-15-26-23(29)11-10-20-7-5-14-25-18-20/h1-2,5,7-11,14,18-19,28H,3-4,6,12-13,15-17H2,(H,26,29)/b11-10+
InChIKeyOCVYUGVYXZGCJS-ZHACJKMWSA-N
MW407.51 g/mol
LogP3.64
Rot. Bonds8

About (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 134458728) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID134458728
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2O)CC1
InChIInChI=1S/C24H29N3O3/c28-22-9-2-1-8-21(22)24(30)27-16-12-19(13-17-27)6-3-4-15-26-23(29)11-10-20-7-5-14-25-18-20/h1-2,5,7-11,14,18-19,28H,3-4,6,12-13,15-17H2,(H,26,29)/b11-10+
InChIKeyOCVYUGVYXZGCJS-ZHACJKMWSA-N
XLogP3.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide (CID 134458728) is (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NCCCCC1CCN(C(=O)c2ccccc2O)CC1.
What is the InChIKey of (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is OCVYUGVYXZGCJS-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-22-9-2-1-8-21(22)24(30)27-16-12-19(13-17-27)6-3-4-15-26-23(29)11-10-20-7-5-14-25-18-20/h1-2,5,7-11,14,18-19,28H,3-4,6,12-13,15-17H2,(H,26,29)/b11-10+.
What are the key properties of (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 407.51 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[1-(2-hydroxybenzoyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 134458728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).