ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate

C18H26N2O5S — CID 982228

IUPACethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H26N2O5S/c1-3-25-18(22)16-9-11-19(12-10-16)17(21)14-20(26(2,23)24)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyMKWHNZNIJRVVLD-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.25
Rot. Bonds7

About ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 982228) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID982228
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Nameethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C18H26N2O5S/c1-3-25-18(22)16-9-11-19(12-10-16)17(21)14-20(26(2,23)24)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
InChIKeyMKWHNZNIJRVVLD-UHFFFAOYSA-N
XLogP1.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate (CID 982228) is ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is MKWHNZNIJRVVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-3-25-18(22)16-9-11-19(12-10-16)17(21)14-20(26(2,23)24)13-15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3.
What are the key properties of ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 382.48 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[benzyl(methylsulfonyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 982228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).