[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

C19H20ClN3OS — CID 22017554

IUPAC[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(c1ccc(Cl)s1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H20ClN3OS/c1-13(17-4-5-18(20)25-17)22-8-10-23(11-9-22)19(24)15-2-3-16-14(12-15)6-7-21-16/h2-7,12-13,21H,8-11H2,1H3
InChIKeyDXAKJGKHRJUPKP-UHFFFAOYSA-N
MW373.91 g/mol
LogP4.40
Rot. Bonds3

About [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone

[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 22017554) has the molecular formula C19H20ClN3OS and a molecular weight of 373.91 g/mol. Its IUPAC name is [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID22017554
Molecular FormulaC19H20ClN3OS
Molecular Weight373.91 g/mol
Exact Mass373.10
IUPAC Name[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(c1ccc(Cl)s1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H20ClN3OS/c1-13(17-4-5-18(20)25-17)22-8-10-23(11-9-22)19(24)15-2-3-16-14(12-15)6-7-21-16/h2-7,12-13,21H,8-11H2,1H3
InChIKeyDXAKJGKHRJUPKP-UHFFFAOYSA-N
XLogP4.40
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone (CID 22017554) is [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is CC(c1ccc(Cl)s1)N1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is DXAKJGKHRJUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3OS/c1-13(17-4-5-18(20)25-17)22-8-10-23(11-9-22)19(24)15-2-3-16-14(12-15)6-7-21-16/h2-7,12-13,21H,8-11H2,1H3.
What are the key properties of [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone?
[4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 373.91 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(5-chlorothiophen-2-yl)ethyl]piperazin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 22017554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).