(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C20H20ClN3O2 — CID 4894827

IUPAC(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C20H20ClN3O2/c1-26-17-4-2-3-16(13-17)23-7-9-24(10-8-23)20(25)19-12-14-11-15(21)5-6-18(14)22-19/h2-6,11-13,22H,7-10H2,1H3
InChIKeyIBXFKJWOPRRZTO-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.79
Rot. Bonds3

About (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 4894827) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID4894827
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C20H20ClN3O2/c1-26-17-4-2-3-16(13-17)23-7-9-24(10-8-23)20(25)19-12-14-11-15(21)5-6-18(14)22-19/h2-6,11-13,22H,7-10H2,1H3
InChIKeyIBXFKJWOPRRZTO-UHFFFAOYSA-N
XLogP3.79
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 4894827) is (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is IBXFKJWOPRRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-17-4-2-3-16(13-17)23-7-9-24(10-8-23)20(25)19-12-14-11-15(21)5-6-18(14)22-19/h2-6,11-13,22H,7-10H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 369.85 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4894827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).