[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone

C23H27ClN4O — CID 10982482

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
SMILESCN(C)CCn1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc2ccccc21
InChIInChI=1S/C23H27ClN4O/c1-25(2)11-16-28-20-9-5-3-7-18(20)17-22(28)23(29)27-14-12-26(13-15-27)21-10-6-4-8-19(21)24/h3-10,17H,11-16H2,1-2H3
InChIKeyAJFLEVQVPXWQMM-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.82
Rot. Bonds5

About [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone (PubChem CID 10982482) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
PubChem CID10982482
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
SMILESCN(C)CCn1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc2ccccc21
InChIInChI=1S/C23H27ClN4O/c1-25(2)11-16-28-20-9-5-3-7-18(20)17-22(28)23(29)27-14-12-26(13-15-27)21-10-6-4-8-19(21)24/h3-10,17H,11-16H2,1-2H3
InChIKeyAJFLEVQVPXWQMM-UHFFFAOYSA-N
XLogP3.82
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone (CID 10982482) is [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone is CN(C)CCn1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cc2ccccc21.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone?
The InChIKey is AJFLEVQVPXWQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-25(2)11-16-28-20-9-5-3-7-18(20)17-22(28)23(29)27-14-12-26(13-15-27)21-10-6-4-8-19(21)24/h3-10,17H,11-16H2,1-2H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone has a molecular weight of 410.95 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone is sourced from PubChem (CID 10982482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).