N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride

C18H31Cl2N3O2S — CID 71783389

IUPACN-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(CC(O)c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C18H29N3O2S.2ClH/c22-16(17-7-4-12-24-17)13-20-8-10-21(11-9-20)14-18(23)19-15-5-2-1-3-6-15;;/h4,7,12,15-16,22H,1-3,5-6,8-11,13-14H2,(H,19,23);2*1H
InChIKeySJIBYCAPHAEYNX-UHFFFAOYSA-N
MW424.44 g/mol
LogP2.69
Rot. Bonds6

About N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride

N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 71783389) has the molecular formula C18H31Cl2N3O2S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID71783389
Molecular FormulaC18H31Cl2N3O2S
Molecular Weight424.44 g/mol
Exact Mass423.15
IUPAC NameN-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(CC(O)c2cccs2)CC1)NC1CCCCC1
InChIInChI=1S/C18H29N3O2S.2ClH/c22-16(17-7-4-12-24-17)13-20-8-10-21(11-9-20)14-18(23)19-15-5-2-1-3-6-15;;/h4,7,12,15-16,22H,1-3,5-6,8-11,13-14H2,(H,19,23);2*1H
InChIKeySJIBYCAPHAEYNX-UHFFFAOYSA-N
XLogP2.69
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
N-cyclopentyl-2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783276
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039064
N-cyclohexyl-2-(1-thiophen-2-ylethylamino)acetamide
CID 43398121
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 95978154
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
N-(cyclohexylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073373
N-cyclohexyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8529369
cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 71783014

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride (CID 71783389) is N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CN1CCN(CC(O)c2cccs2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is SJIBYCAPHAEYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S.2ClH/c22-16(17-7-4-12-24-17)13-20-8-10-21(11-9-20)14-18(23)19-15-5-2-1-3-6-15;;/h4,7,12,15-16,22H,1-3,5-6,8-11,13-14H2,(H,19,23);2*1H.
What are the key properties of N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride?
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 424.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 71783389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).