ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate

C23H36N4O5S — CID 50760381

IUPACethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N3CCCCC3)CC2)cn1C
InChIInChI=1S/C23H36N4O5S/c1-3-32-23(29)21-16-19(17-24(21)2)33(30,31)27-13-7-8-20(27)22(28)26-14-9-18(10-15-26)25-11-5-4-6-12-25/h16-18,20H,3-15H2,1-2H3
InChIKeyMQBVWNLORJPBGN-UHFFFAOYSA-N
MW480.63 g/mol
LogP1.83
Rot. Bonds6

About ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate

ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate (PubChem CID 50760381) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
PubChem CID50760381
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC Nameethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N3CCCCC3)CC2)cn1C
InChIInChI=1S/C23H36N4O5S/c1-3-32-23(29)21-16-19(17-24(21)2)33(30,31)27-13-7-8-20(27)22(28)26-14-9-18(10-15-26)25-11-5-4-6-12-25/h16-18,20H,3-15H2,1-2H3
InChIKeyMQBVWNLORJPBGN-UHFFFAOYSA-N
XLogP1.83
TPSA92.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-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

ethyl 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052107
ethyl 1-methyl-4-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53023628
ethyl 4-[(2S)-2-(cyclohexylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 93065169
ethyl 4-[2-(cyclopropylcarbamoyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53004035
ethyl 1-methyl-4-[2-(2-methylbutan-2-ylcarbamoyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53004039
methyl 1-methyl-4-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate
CID 53004018
ethyl 4-[(2S)-2-[(4-ethylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 93052673
ethyl 4-[(2S)-2-[(2,4-dimethylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 95063662
ethyl 4-[2-[(3-chloro-4-methylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023623
ethyl 4-[(2S)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 93052653
ethyl 4-[2-[(3-acetylphenyl)carbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53052102
ethyl 4-[2-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
CID 53023614

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate (CID 50760381) is ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)N2CCCC2C(=O)N2CCC(N3CCCCC3)CC2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate?
The InChIKey is MQBVWNLORJPBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-3-32-23(29)21-16-19(17-24(21)2)33(30,31)27-13-7-8-20(27)22(28)26-14-9-18(10-15-26)25-11-5-4-6-12-25/h16-18,20H,3-15H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate?
ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate has a molecular weight of 480.63 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-[2-(4-piperidin-1-ylpiperidine-1-carbonyl)pyrrolidin-1-yl]sulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 50760381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).