5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

C23H25ClN4O3 — CID 18184313

IUPAC5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
SMILESNC(=O)C1COc2c(cccc2N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)O1
InChIInChI=1S/C23H25ClN4O3/c24-16-4-5-17-15(13-26-18(17)12-16)6-7-27-8-10-28(11-9-27)19-2-1-3-20-22(19)30-14-21(31-20)23(25)29/h1-5,12-13,21,26H,6-11,14H2,(H2,25,29)
InChIKeyCDXUJOOQPXEOBA-UHFFFAOYSA-N
MW440.93 g/mol
LogP2.81
Rot. Bonds5

About 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide (PubChem CID 18184313) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
PubChem CID18184313
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
SMILESNC(=O)C1COc2c(cccc2N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)O1
InChIInChI=1S/C23H25ClN4O3/c24-16-4-5-17-15(13-26-18(17)12-16)6-7-27-8-10-28(11-9-27)19-2-1-3-20-22(19)30-14-21(31-20)23(25)29/h1-5,12-13,21,26H,6-11,14H2,(H2,25,29)
InChIKeyCDXUJOOQPXEOBA-UHFFFAOYSA-N
XLogP2.81
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide 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-[2-[4-[2,2-bis(trifluoromethyl)-3H-1,4-benzodioxin-5-yl]piperazin-1-yl]ethyl]-6-chloro-1H-indole
CID 18184287
6-chloro-3-[2-[4-(2,3-dihydro-1H-indol-4-yl)piperazin-1-yl]ethyl]-1H-indole
CID 22462261
5-[4-[2-(6-chloroindol-1-yl)ethyl]piperidin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 54112651
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-5-fluoro-1H-indole;oxalic acid
CID 22725288
4-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-6-fluoro-1H-indole
CID 22462300
3-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-1H-indole-5-carbonitrile
CID 10407968
6-chloro-3-[3-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 10164181
6-chloro-3-[2-[4-(2,2-dimethyl-3H-1-benzofuran-7-yl)piperidin-1-yl]ethyl]-1H-indole;oxalic acid
CID 18406967
[5-[4-(3-aminopropyl)piperazin-1-yl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
CID 18798237
2,3-dihydroxybutanedioic acid;7-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 21796
7-chloro-2-[1-[2-(6-chloro-1H-indol-3-yl)ethyl]piperidin-4-yl]-3H-quinazolin-4-one
CID 135853204
N-[(3-chlorophenyl)methyl]-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110616503

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The IUPAC name of 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide (CID 18184313) is 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide.
What is the SMILES notation for 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The canonical SMILES for 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide is NC(=O)C1COc2c(cccc2N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)O1.
What is the InChIKey of 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
The InChIKey is CDXUJOOQPXEOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c24-16-4-5-17-15(13-26-18(17)12-16)6-7-27-8-10-28(11-9-27)19-2-1-3-20-22(19)30-14-21(31-20)23(25)29/h1-5,12-13,21,26H,6-11,14H2,(H2,25,29).
What are the key properties of 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide?
5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide has a molecular weight of 440.93 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(6-chloro-1H-indol-3-yl)ethyl]piperazin-1-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide is sourced from PubChem (CID 18184313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).