[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride

C15H22ClN3O3S — CID 119745412

IUPAC[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12;/h2-3,12,16H,4-10H2,1H3;1H
InChIKeyNUBPUCSHVMBDBD-UHFFFAOYSA-N
MW359.88 g/mol
LogP0.75
Rot. Bonds2

About [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride

[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride (PubChem CID 119745412) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
PubChem CID119745412
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1.Cl
InChIInChI=1S/C15H21N3O3S.ClH/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12;/h2-3,12,16H,4-10H2,1H3;1H
InChIKeyNUBPUCSHVMBDBD-UHFFFAOYSA-N
XLogP0.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119745413
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119745421
[4-(furan-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119673067
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119720695
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119747817
morpholin-2-yl(piperidin-1-yl)methanone;hydrochloride
CID 71298615
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119756657
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride (CID 119745412) is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)C3CNCCO3)CC2)s1.Cl.
What is the InChIKey of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
The InChIKey is NUBPUCSHVMBDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S.ClH/c1-11-2-3-13(22-11)15(20)18-7-5-17(6-8-18)14(19)12-10-16-4-9-21-12;/h2-3,12,16H,4-10H2,1H3;1H.
What are the key properties of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride?
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride has a molecular weight of 359.88 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119745412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).