2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

C19H27N3O3S — CID 46603919

IUPAC2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H27N3O3S/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h13H,1-12,14H2
InChIKeyBYYLCHZZACVJGG-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.24
Rot. Bonds3

About 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 46603919) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID46603919
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1
InChIInChI=1S/C19H27N3O3S/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h13H,1-12,14H2
InChIKeyBYYLCHZZACVJGG-UHFFFAOYSA-N
XLogP1.24
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 31428014
2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521458
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110878490
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyrrolidin-1-yl)methanone
CID 60644343
(4-benzylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 685910
phenyl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
CID 7792036
[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1246967
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone
CID 17249357
[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone;hydrochloride
CID 45479147
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43556243
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254705
(4-ethylphenyl)-[4-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 32770850

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 46603919) is 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCN(C(=O)c2cc3c(s2)CCCC3)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BYYLCHZZACVJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-18(14-20-9-11-25-12-10-20)21-5-7-22(8-6-21)19(24)17-13-15-3-1-2-4-16(15)26-17/h13H,1-12,14H2.
What are the key properties of 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 377.51 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46603919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).