[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

C19H28N2O4S — CID 40632286

IUPAC[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C19H28N2O4S/c1-15-9-12-20(13-10-15)19(22)16-4-3-11-21(14-16)26(23,24)18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3/t16-/m1/s1
InChIKeyIHOICGBLSYCWOW-MRXNPFEDSA-N
MW380.51 g/mol
LogP2.35
Rot. Bonds4

About [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 40632286) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID40632286
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C19H28N2O4S/c1-15-9-12-20(13-10-15)19(22)16-4-3-11-21(14-16)26(23,24)18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3/t16-/m1/s1
InChIKeyIHOICGBLSYCWOW-MRXNPFEDSA-N
XLogP2.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(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
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
methyl N-[4-[(3R)-3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190354
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 55803618
1-(4-methoxyphenyl)sulfonyl-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 18089763
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 41321603

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 40632286) is [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)cc1.
What is the InChIKey of [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IHOICGBLSYCWOW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-15-9-12-20(13-10-15)19(22)16-4-3-11-21(14-16)26(23,24)18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 40632286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).