4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride

C13H22ClN3O2S — CID 71783468

IUPAC4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(O)CN1CCN(C(=O)NCc2cccs2)CC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11(17)10-15-4-6-16(7-5-15)13(18)14-9-12-3-2-8-19-12;/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,14,18);1H
InChIKeyGPQJTUUBVOQAGR-UHFFFAOYSA-N
MW319.86 g/mol
LogP1.38
Rot. Bonds4

About 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride

4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 71783468) has the molecular formula C13H22ClN3O2S and a molecular weight of 319.86 g/mol. Its IUPAC name is 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID71783468
Molecular FormulaC13H22ClN3O2S
Molecular Weight319.86 g/mol
Exact Mass319.11
IUPAC Name4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(O)CN1CCN(C(=O)NCc2cccs2)CC1.Cl
InChIInChI=1S/C13H21N3O2S.ClH/c1-11(17)10-15-4-6-16(7-5-15)13(18)14-9-12-3-2-8-19-12;/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,14,18);1H
InChIKeyGPQJTUUBVOQAGR-UHFFFAOYSA-N
XLogP1.38
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-({2-[(2-Thienylmethyl)amino]ethyl}amino)-2-propanol dihydrochloride
CID 16189374
1-Cyclohexyl-3-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310411
1-[(5-Ethylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45828505
1-[(5-Methylthiophen-2-yl)methyl]-3-(1-morpholin-4-ylpropan-2-yl)urea
CID 45831184
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
1-(1-Morpholin-4-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)urea
CID 47218856
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 53531331
1-({2-[(Thiophen-2-ylmethyl)amino]ethyl}amino)propan-2-ol
CID 2969976
4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 11543233
1-Cyclohexyl-3-(2-morpholino-2-(thiophen-2-yl)ethyl)urea
CID 18588966
N-(thiophen-2-ylmethyl)-1-oxa-4-thia-8-azaspiro[4.5]decane-8-carboxamide
CID 56764711
1-(4-Morpholinobut-2-yn-1-yl)-3-(thiophen-2-ylmethyl)urea
CID 71792727

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride (CID 71783468) is 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride is CC(O)CN1CCN(C(=O)NCc2cccs2)CC1.Cl.
What is the InChIKey of 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is GPQJTUUBVOQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.ClH/c1-11(17)10-15-4-6-16(7-5-15)13(18)14-9-12-3-2-8-19-12;/h2-3,8,11,17H,4-7,9-10H2,1H3,(H,14,18);1H.
What are the key properties of 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride?
4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 319.86 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 71783468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).