(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one

C22H20Cl2N4O2 — CID 131965590

IUPAC(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
SMILESN/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C22H20Cl2N4O2/c23-16-3-1-2-14(10-16)11-18(25)21(29)27-6-8-28(9-7-27)22(30)20-13-15-12-17(24)4-5-19(15)26-20/h1-5,10-13,26H,6-9,25H2/b18-11-
InChIKeyWPJHLNBENXFLQE-WQRHYEAKSA-N
MW443.33 g/mol
LogP3.76
Rot. Bonds3

About (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one

(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one (PubChem CID 131965590) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
PubChem CID131965590
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one
SMILESN/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C22H20Cl2N4O2/c23-16-3-1-2-14(10-16)11-18(25)21(29)27-6-8-28(9-7-27)22(30)20-13-15-12-17(24)4-5-19(15)26-20/h1-5,10-13,26H,6-9,25H2/b18-11-
InChIKeyWPJHLNBENXFLQE-WQRHYEAKSA-N
XLogP3.76
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one 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

(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
(5-chloro-1H-indol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46556347
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
[4-(5-chloro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850390
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
2-[2-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913336
1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 53013265
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
N-[3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]-N-(4-fluorophenyl)formamide
CID 122421179

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one?
The IUPAC name of (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one (CID 131965590) is (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one is N/C(=C\c1cccc(Cl)c1)C(=O)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one?
The InChIKey is WPJHLNBENXFLQE-WQRHYEAKSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c23-16-3-1-2-14(10-16)11-18(25)21(29)27-6-8-28(9-7-27)22(30)20-13-15-12-17(24)4-5-19(15)26-20/h1-5,10-13,26H,6-9,25H2/b18-11-.
What are the key properties of (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one?
(Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one has a molecular weight of 443.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(3-chlorophenyl)prop-2-en-1-one is sourced from PubChem (CID 131965590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).