methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate

C23H28N2O5S2 — CID 55513594

IUPACmethyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C23H28N2O5S2/c1-30-22(27)23(19-8-3-2-4-9-19)11-14-24(15-12-23)21(26)18-7-5-13-25(17-18)32(28,29)20-10-6-16-31-20/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3
InChIKeyZYELERIEZWZXSV-UHFFFAOYSA-N
MW476.62 g/mol
LogP2.88
Rot. Bonds5

About methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate

methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 55513594) has the molecular formula C23H28N2O5S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
PubChem CID55513594
Molecular FormulaC23H28N2O5S2
Molecular Weight476.62 g/mol
Exact Mass476.14
IUPAC Namemethyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1
InChIInChI=1S/C23H28N2O5S2/c1-30-22(27)23(19-8-3-2-4-9-19)11-14-24(15-12-23)21(26)18-7-5-13-25(17-18)32(28,29)20-10-6-16-31-20/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3
InChIKeyZYELERIEZWZXSV-UHFFFAOYSA-N
XLogP2.88
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl-[1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55428093
[(3S)-3-methylpiperidin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 51607049
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 92802348
N-[1-[(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41312296
ethyl 1-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 31943086
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
(3R)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl chloride
CID 42261450
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
1-pyrrolidin-1-yl-2-[4-[(3S)-1-thiophen-2-ylsulfonylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 41074973
[4-(3-chlorophenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 15989414

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate (CID 55513594) is methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)CC1.
What is the InChIKey of methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZYELERIEZWZXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S2/c1-30-22(27)23(19-8-3-2-4-9-19)11-14-24(15-12-23)21(26)18-7-5-13-25(17-18)32(28,29)20-10-6-16-31-20/h2-4,6,8-10,16,18H,5,7,11-15,17H2,1H3.
What are the key properties of methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate?
methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 476.62 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-1-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55513594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).