4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

C17H20ClN3OS — CID 120848995

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1NCCN(Cc2cccc3c2NCC3)C1c1cccs1
InChIInChI=1S/C17H19N3OS.ClH/c21-17-16(14-5-2-10-22-14)20(9-8-19-17)11-13-4-1-3-12-6-7-18-15(12)13;/h1-5,10,16,18H,6-9,11H2,(H,19,21);1H
InChIKeyOMAGQPCKCDPOHF-UHFFFAOYSA-N
MW349.89 g/mol
LogP2.81
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride

4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (PubChem CID 120848995) has the molecular formula C17H20ClN3OS and a molecular weight of 349.89 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
PubChem CID120848995
Molecular FormulaC17H20ClN3OS
Molecular Weight349.89 g/mol
Exact Mass349.10
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride
SMILESCl.O=C1NCCN(Cc2cccc3c2NCC3)C1c1cccs1
InChIInChI=1S/C17H19N3OS.ClH/c21-17-16(14-5-2-10-22-14)20(9-8-19-17)11-13-4-1-3-12-6-7-18-15(12)13;/h1-5,10,16,18H,6-9,11H2,(H,19,21);1H
InChIKeyOMAGQPCKCDPOHF-UHFFFAOYSA-N
XLogP2.81
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.89
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride (CID 120848995) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is Cl.O=C1NCCN(Cc2cccc3c2NCC3)C1c1cccs1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
The InChIKey is OMAGQPCKCDPOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS.ClH/c21-17-16(14-5-2-10-22-14)20(9-8-19-17)11-13-4-1-3-12-6-7-18-15(12)13;/h1-5,10,16,18H,6-9,11H2,(H,19,21);1H.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride has a molecular weight of 349.89 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-thiophen-2-ylpiperazin-2-one;hydrochloride is sourced from PubChem (CID 120848995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).