5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole

C25H30ClN3O2 — CID 72547333

IUPAC5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
SMILESCC1Oc2ccccc2OC1CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-25(31-24-7-3-2-6-23(24)30-18)17-29-13-11-28(12-14-29)10-4-5-19-16-27-22-9-8-20(26)15-21(19)22/h2-3,6-9,15-16,18,25,27H,4-5,10-14,17H2,1H3
InChIKeyNTLFNYTXPMXXDG-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.60
Rot. Bonds6

About 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole

5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 72547333) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID72547333
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole
SMILESCC1Oc2ccccc2OC1CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1
InChIInChI=1S/C25H30ClN3O2/c1-18-25(31-24-7-3-2-6-23(24)30-18)17-29-13-11-28(12-14-29)10-4-5-19-16-27-22-9-8-20(26)15-21(19)22/h2-3,6-9,15-16,18,25,27H,4-5,10-14,17H2,1H3
InChIKeyNTLFNYTXPMXXDG-UHFFFAOYSA-N
XLogP4.60
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
CID 175405742
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-chloro-1H-indole
CID 18330282
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
5-chloro-3-(4-chlorobutyl)-1H-indole;5-chloro-3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-1H-indole
CID 67856503
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]naphthalene-1-sulfonamide
CID 156806854
3-(5-chloro-1H-indol-3-yl)-N-[4-[4-(4-methylpiperazin-1-yl)butyl]phenyl]sulfanylpropan-1-amine
CID 166658624
3-(5-chloro-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 154878767
3-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 92650578
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole (CID 72547333) is 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole is CC1Oc2ccccc2OC1CN1CCN(CCCc2c[nH]c3ccc(Cl)cc23)CC1.
What is the InChIKey of 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is NTLFNYTXPMXXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-18-25(31-24-7-3-2-6-23(24)30-18)17-29-13-11-28(12-14-29)10-4-5-19-16-27-22-9-8-20(26)15-21(19)22/h2-3,6-9,15-16,18,25,27H,4-5,10-14,17H2,1H3.
What are the key properties of 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole?
5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 439.99 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 72547333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).