1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C19H27N3O3S — CID 55496775

IUPAC1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCSCc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-26-15-16-2-4-17(5-3-16)19(24)22-8-6-21(7-9-22)18(23)14-20-10-12-25-13-11-20/h2-5H,6-15H2,1H3
InChIKeyFCNIACMRPBNWFI-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.17
Rot. Bonds5

About 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55496775) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55496775
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCSCc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O3S/c1-26-15-16-2-4-17(5-3-16)19(24)22-8-6-21(7-9-22)18(23)14-20-10-12-25-13-11-20/h2-5H,6-15H2,1H3
InChIKeyFCNIACMRPBNWFI-UHFFFAOYSA-N
XLogP1.17
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496652
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 43038526
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
[4-(methylsulfanylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9254824
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 43038549
2-[4-(3,5-dimethylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 17441973
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 17401616
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
2-[4-(4-methylsulfanylbenzoyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858899

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55496775) is 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone is CSCc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is FCNIACMRPBNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-26-15-16-2-4-17(5-3-16)19(24)22-8-6-21(7-9-22)18(23)14-20-10-12-25-13-11-20/h2-5H,6-15H2,1H3.
What are the key properties of 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 377.51 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55496775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).