N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

C26H32ClN3O4 — CID 34437429

IUPACN-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCCOc1c(Cl)cc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H32ClN3O4/c1-3-15-34-26-22(27)16-21(17-23(26)33-2)9-10-25(32)30-13-11-29(12-14-30)19-24(31)28-18-20-7-5-4-6-8-20/h4-10,16-17H,3,11-15,18-19H2,1-2H3,(H,28,31)/b10-9+
InChIKeyWNJIZCMGVXGHFH-MDZDMXLPSA-N
MW486.01 g/mol
LogP3.61
Rot. Bonds10

About N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide (PubChem CID 34437429) has the molecular formula C26H32ClN3O4 and a molecular weight of 486.01 g/mol. Its IUPAC name is N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
PubChem CID34437429
Molecular FormulaC26H32ClN3O4
Molecular Weight486.01 g/mol
Exact Mass485.21
IUPAC NameN-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
SMILESCCCOc1c(Cl)cc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C26H32ClN3O4/c1-3-15-34-26-22(27)16-21(17-23(26)33-2)9-10-25(32)30-13-11-29(12-14-30)19-24(31)28-18-20-7-5-4-6-8-20/h4-10,16-17H,3,11-15,18-19H2,1-2H3,(H,28,31)/b10-9+
InChIKeyWNJIZCMGVXGHFH-MDZDMXLPSA-N
XLogP3.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.01
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide 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

3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-[4-(4-methylbenzoyl)piperidin-1-yl]prop-2-en-1-one
CID 55978664
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 74852264
(E)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 141229851
N-benzyl-2-[4-[(E)-3-pyridin-2-ylprop-2-enoyl]piperazin-1-yl]acetamide
CID 86992640
methyl 1-[(Z)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 97426358
(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 26241433
N-benzyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 30457276
(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 51942883
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
(E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 78777649
(E)-1-(4-benzylpiperazin-1-yl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 26535113
N,N-diphenyl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide;hydrochloride
CID 6445272

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide (CID 34437429) is N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide is CCCOc1c(Cl)cc(/C=C/C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
The InChIKey is WNJIZCMGVXGHFH-MDZDMXLPSA-N. The full InChI is InChI=1S/C26H32ClN3O4/c1-3-15-34-26-22(27)16-21(17-23(26)33-2)9-10-25(32)30-13-11-29(12-14-30)19-24(31)28-18-20-7-5-4-6-8-20/h4-10,16-17H,3,11-15,18-19H2,1-2H3,(H,28,31)/b10-9+.
What are the key properties of N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide has a molecular weight of 486.01 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 34437429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).