N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

C19H31N3OS — CID 5310190

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H31N3OS/c1-15(20-19(23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)22-12-10-21(2)11-13-22/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H,20,23)
InChIKeyFMANCDFISXCUPC-UHFFFAOYSA-N
MW349.54 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (PubChem CID 5310190) has the molecular formula C19H31N3OS and a molecular weight of 349.54 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
PubChem CID5310190
Molecular FormulaC19H31N3OS
Molecular Weight349.54 g/mol
Exact Mass349.22
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide
SMILESCC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H31N3OS/c1-15(20-19(23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)22-12-10-21(2)11-13-22/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H,20,23)
InChIKeyFMANCDFISXCUPC-UHFFFAOYSA-N
XLogP3.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.54
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide (CID 5310190) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is CC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
The InChIKey is FMANCDFISXCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3OS/c1-15(20-19(23)16-7-4-3-5-8-16)18(17-9-6-14-24-17)22-12-10-21(2)11-13-22/h6,9,14-16,18H,3-5,7-8,10-13H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide has a molecular weight of 349.54 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 5310190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).