ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate

C21H32N2O6S — CID 3243748

IUPACethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C21H32N2O6S/c1-5-29-21(25)16-10-12-23(13-11-16)20(24)14-19(15(2)3)22-30(26,27)18-8-6-17(28-4)7-9-18/h6-9,15-16,19,22H,5,10-14H2,1-4H3
InChIKeyMVZICFKYLBWJSD-UHFFFAOYSA-N
MW440.56 g/mol
LogP2.19
Rot. Bonds9

About ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate

ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate (PubChem CID 3243748) has the molecular formula C21H32N2O6S and a molecular weight of 440.56 g/mol. Its IUPAC name is ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate
PubChem CID3243748
Molecular FormulaC21H32N2O6S
Molecular Weight440.56 g/mol
Exact Mass440.20
IUPAC Nameethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1
InChIInChI=1S/C21H32N2O6S/c1-5-29-21(25)16-10-12-23(13-11-16)20(24)14-19(15(2)3)22-30(26,27)18-8-6-17(28-4)7-9-18/h6-9,15-16,19,22H,5,10-14H2,1-4H3
InChIKeyMVZICFKYLBWJSD-UHFFFAOYSA-N
XLogP2.19
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate (CID 3243748) is ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(NS(=O)(=O)c2ccc(OC)cc2)C(C)C)CC1.
What is the InChIKey of ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate?
The InChIKey is MVZICFKYLBWJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O6S/c1-5-29-21(25)16-10-12-23(13-11-16)20(24)14-19(15(2)3)22-30(26,27)18-8-6-17(28-4)7-9-18/h6-9,15-16,19,22H,5,10-14H2,1-4H3.
What are the key properties of ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate has a molecular weight of 440.56 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(4-methoxyphenyl)sulfonylamino]-4-methylpentanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 3243748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).