N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

C18H26ClN3O2S — CID 9167442

IUPACN-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1CCCCC1
InChIInChI=1S/C18H26ClN3O2S/c19-16-7-6-15(25-16)13-21-8-10-22(11-9-21)17(23)12-20-18(24)14-4-2-1-3-5-14/h6-7,14H,1-5,8-13H2,(H,20,24)
InChIKeyHSOBSJCJDSJNOA-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.74
Rot. Bonds5

About N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 9167442) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID9167442
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC NameN-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1CCCCC1
InChIInChI=1S/C18H26ClN3O2S/c19-16-7-6-15(25-16)13-21-8-10-22(11-9-21)17(23)12-20-18(24)14-4-2-1-3-5-14/h6-7,14H,1-5,8-13H2,(H,20,24)
InChIKeyHSOBSJCJDSJNOA-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide (CID 9167442) is N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is O=C(NCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is HSOBSJCJDSJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2S/c19-16-7-6-15(25-16)13-21-8-10-22(11-9-21)17(23)12-20-18(24)14-4-2-1-3-5-14/h6-7,14H,1-5,8-13H2,(H,20,24).
What are the key properties of N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 383.95 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9167442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).