1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

C19H27N3O5S — CID 9326800

IUPAC1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-15(23)21-9-3-4-16(14-21)19(24)20-10-12-22(13-11-20)28(25,26)18-7-5-17(27-2)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUAISGJKUVBOWTM-MRXNPFEDSA-N
MW409.51 g/mol
LogP0.79
Rot. Bonds4

About 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 9326800) has the molecular formula C19H27N3O5S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID9326800
Molecular FormulaC19H27N3O5S
Molecular Weight409.51 g/mol
Exact Mass409.17
IUPAC Name1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1
InChIInChI=1S/C19H27N3O5S/c1-15(23)21-9-3-4-16(14-21)19(24)20-10-12-22(13-11-20)28(25,26)18-7-5-17(27-2)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m1/s1
InChIKeyUAISGJKUVBOWTM-MRXNPFEDSA-N
XLogP0.79
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9087013
cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 55630204
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9496499
1-[3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 43066217

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 9326800) is 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(C)=O)C3)CC2)cc1.
What is the InChIKey of 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is UAISGJKUVBOWTM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O5S/c1-15(23)21-9-3-4-16(14-21)19(24)20-10-12-22(13-11-20)28(25,26)18-7-5-17(27-2)6-8-18/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 9326800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).