methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate

C19H28N2O5S — CID 30273706

IUPACmethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O5S/c1-14(2)16-7-5-6-8-17(16)21(27(4,24)25)13-18(22)20-11-9-15(10-12-20)19(23)26-3/h5-8,14-15H,9-13H2,1-4H3
InChIKeyFSYBQWBJHSZFSP-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.99
Rot. Bonds6

About methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate

methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate (PubChem CID 30273706) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
PubChem CID30273706
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Namemethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C19H28N2O5S/c1-14(2)16-7-5-6-8-17(16)21(27(4,24)25)13-18(22)20-11-9-15(10-12-20)19(23)26-3/h5-8,14-15H,9-13H2,1-4H3
InChIKeyFSYBQWBJHSZFSP-UHFFFAOYSA-N
XLogP1.99
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate
CID 30267760
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30262751
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344
1-[2-(2-fluoro-N-methylsulfonylanilino)acetyl]piperidine-4-carboxamide
CID 126031859
ethyl 2-(N-methylsulfonyl-2-propan-2-ylanilino)acetate
CID 50893699
1-[2-[methylsulfonyl(naphthalen-1-yl)amino]acetyl]piperidine-4-carboxamide
CID 126035425
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)methanesulfonamide
CID 30273145
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155338
methyl 2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155867
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
N-(2-ethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 846617

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate (CID 30273706) is methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)CC1.
What is the InChIKey of methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
The InChIKey is FSYBQWBJHSZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-14(2)16-7-5-6-8-17(16)21(27(4,24)25)13-18(22)20-11-9-15(10-12-20)19(23)26-3/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate has a molecular weight of 396.51 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 30273706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).