[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate

C20H29N5O5S — CID 70253294

IUPAC[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2ccccc2N(C)C(=O)OC2CCN(CCN(C)S(C)(=O)=O)CC2)n1
InChIInChI=1S/C20H29N5O5S/c1-15-21-19(30-22-15)17-7-5-6-8-18(17)24(3)20(26)29-16-9-11-25(12-10-16)14-13-23(2)31(4,27)28/h5-8,16H,9-14H2,1-4H3
InChIKeySIAFWVZQGXDJJA-UHFFFAOYSA-N
MW451.55 g/mol
LogP1.97
Rot. Bonds7

About [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate

[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (PubChem CID 70253294) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Name[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
PubChem CID70253294
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC Name[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
SMILESCc1noc(-c2ccccc2N(C)C(=O)OC2CCN(CCN(C)S(C)(=O)=O)CC2)n1
InChIInChI=1S/C20H29N5O5S/c1-15-21-19(30-22-15)17-7-5-6-8-18(17)24(3)20(26)29-16-9-11-25(12-10-16)14-13-23(2)31(4,27)28/h5-8,16H,9-14H2,1-4H3
InChIKeySIAFWVZQGXDJJA-UHFFFAOYSA-N
XLogP1.97
TPSA109.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The IUPAC name of [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate (CID 70253294) is [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate.
What is the SMILES notation for [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The canonical SMILES for [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is Cc1noc(-c2ccccc2N(C)C(=O)OC2CCN(CCN(C)S(C)(=O)=O)CC2)n1.
What is the InChIKey of [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
The InChIKey is SIAFWVZQGXDJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-15-21-19(30-22-15)17-7-5-6-8-18(17)24(3)20(26)29-16-9-11-25(12-10-16)14-13-23(2)31(4,27)28/h5-8,16H,9-14H2,1-4H3.
What are the key properties of [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate?
[1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate has a molecular weight of 451.55 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[methyl(methylsulfonyl)amino]ethyl]piperidin-4-yl] N-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 70253294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).