N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide

C26H32N2O4 — CID 34424345

IUPACN-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
SMILESCCCCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H32N2O4/c1-3-4-18-32-23-12-10-20(19-24(23)31-2)11-13-25(29)28-16-14-22(15-17-28)27-26(30)21-8-6-5-7-9-21/h5-13,19,22H,3-4,14-18H2,1-2H3,(H,27,30)/b13-11+
InChIKeyHUGCLGBECGVCMO-ACCUITESSA-N
MW436.55 g/mol
LogP4.31
Rot. Bonds9

About N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide

N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide (PubChem CID 34424345) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
PubChem CID34424345
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide
SMILESCCCCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H32N2O4/c1-3-4-18-32-23-12-10-20(19-24(23)31-2)11-13-25(29)28-16-14-22(15-17-28)27-26(30)21-8-6-5-7-9-21/h5-13,19,22H,3-4,14-18H2,1-2H3,(H,27,30)/b13-11+
InChIKeyHUGCLGBECGVCMO-ACCUITESSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
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'}

Analyze N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55749638
ethyl 4-[[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 43010695
1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-sulfonyl fluoride
CID 166409046
N-[1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 46491795
N-[1-[(E)-3-(4-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108935704
(E)-3-(4-hexoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 134814022
3-(4-butoxy-3-methoxyphenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 78767416
N-cyclopropyl-3-[[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]amino]benzamide
CID 26993761
(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl chloride
CID 21322652
(E)-3-(3-methoxy-4-propoxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 19167488
(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one
CID 39306054
N-cyclopentyl-4-[3-(3-methoxy-4-propoxyphenyl)prop-2-enoylamino]benzamide
CID 55896123

Frequently Asked Questions

What is the IUPAC name of N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide (CID 34424345) is N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide is CCCCOc1ccc(/C=C/C(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide?
The InChIKey is HUGCLGBECGVCMO-ACCUITESSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-4-18-32-23-12-10-20(19-24(23)31-2)11-13-25(29)28-16-14-22(15-17-28)27-26(30)21-8-6-5-7-9-21/h5-13,19,22H,3-4,14-18H2,1-2H3,(H,27,30)/b13-11+.
What are the key properties of N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide?
N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide has a molecular weight of 436.55 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 34424345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).