1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone

C15H22ClN3O2S — CID 119832752

IUPAC1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O2S/c16-14-2-1-13(22-14)11-18-4-6-19(7-5-18)15(20)9-12-10-17-3-8-21-12/h1-2,12,17H,3-11H2
InChIKeyMLUSRLMYEQTDJM-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.42
Rot. Bonds4

About 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone

1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 119832752) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
PubChem CID119832752
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone
SMILESO=C(CC1CNCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O2S/c16-14-2-1-13(22-14)11-18-4-6-19(7-5-18)15(20)9-12-10-17-3-8-21-12/h1-2,12,17H,3-11H2
InChIKeyMLUSRLMYEQTDJM-UHFFFAOYSA-N
XLogP1.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone (CID 119832752) is 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone is O=C(CC1CNCCO1)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is MLUSRLMYEQTDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2S/c16-14-2-1-13(22-14)11-18-4-6-19(7-5-18)15(20)9-12-10-17-3-8-21-12/h1-2,12,17H,3-11H2.
What are the key properties of 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone?
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 343.88 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 119832752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).