(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone

C15H18ClN3O — CID 4973027

IUPAC(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c1-2-18-5-7-19(8-6-18)15(20)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyZOCFDPXVIYLYCH-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.60
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone (PubChem CID 4973027) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone
PubChem CID4973027
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C15H18ClN3O/c1-2-18-5-7-19(8-6-18)15(20)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,2,5-8H2,1H3
InChIKeyZOCFDPXVIYLYCH-UHFFFAOYSA-N
XLogP2.60
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone (CID 4973027) is (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is ZOCFDPXVIYLYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-18-5-7-19(8-6-18)15(20)14-10-11-9-12(16)3-4-13(11)17-14/h3-4,9-10,17H,2,5-8H2,1H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 291.78 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 4973027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).