N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride

C17H26ClN3O2S — CID 6603452

IUPACN-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S.ClH/c21-16(18-14-5-2-1-3-6-14)13-19-8-10-20(11-9-19)17(22)15-7-4-12-23-15;/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,18,21);1H
InChIKeyUTUAXGUEXMTMLF-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.38
Rot. Bonds4

About N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride

N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603452) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603452
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC NameN-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S.ClH/c21-16(18-14-5-2-1-3-6-14)13-19-8-10-20(11-9-19)17(22)15-7-4-12-23-15;/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,18,21);1H
InChIKeyUTUAXGUEXMTMLF-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603452) is N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCN(C(=O)c2cccs2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is UTUAXGUEXMTMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c21-16(18-14-5-2-1-3-6-14)13-19-8-10-20(11-9-19)17(22)15-7-4-12-23-15;/h4,7,12,14H,1-3,5-6,8-11,13H2,(H,18,21);1H.
What are the key properties of N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride?
N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).