(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone

C16H24N2OS — CID 1245630

IUPAC(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C16H24N2OS/c1-13-7-8-15(20-13)16(19)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyXFSJKOOMOQHEDM-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.15
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 1245630) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID1245630
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)s1
InChIInChI=1S/C16H24N2OS/c1-13-7-8-15(20-13)16(19)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyXFSJKOOMOQHEDM-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 1245630) is (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)s1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is XFSJKOOMOQHEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-13-7-8-15(20-13)16(19)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 292.45 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 1245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).