benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate

C21H24N2O6 — CID 90629153

IUPACbenzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(OC2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C21H24N2O6/c1-15-11-18(12-20(25)28-15)29-17-7-9-23(10-8-17)19(24)13-22-21(26)27-14-16-5-3-2-4-6-16/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,22,26)
InChIKeyFZQHKFHBKSCHJZ-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.24
Rot. Bonds6

About benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 90629153) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
PubChem CID90629153
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Namebenzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(OC2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc(=O)o1
InChIInChI=1S/C21H24N2O6/c1-15-11-18(12-20(25)28-15)29-17-7-9-23(10-8-17)19(24)13-22-21(26)27-14-16-5-3-2-4-6-16/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,22,26)
InChIKeyFZQHKFHBKSCHJZ-UHFFFAOYSA-N
XLogP2.24
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-4-[1-(5-phenylpentanoyl)piperidin-4-yl]oxypyran-2-one
CID 90629096
4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90629205
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
6-methyl-4-[(3R)-1-[2-(3-methylphenyl)acetyl]pyrrolidin-3-yl]oxypyran-2-one
CID 129410643
2,6-dichloro-N-[3-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90629015
4-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629053
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
3-chloro-4-fluoro-N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90629021
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514
4-[1-[3-(5-bromo-2-methoxyphenyl)propanoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629033
methyl 2-[4-[1-[2-(phenylmethoxycarbonylamino)acetyl]piperidin-4-yl]phenyl]acetate
CID 71266022

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate (CID 90629153) is benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate is Cc1cc(OC2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)cc(=O)o1.
What is the InChIKey of benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FZQHKFHBKSCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-15-11-18(12-20(25)28-15)29-17-7-9-23(10-8-17)19(24)13-22-21(26)27-14-16-5-3-2-4-6-16/h2-6,11-12,17H,7-10,13-14H2,1H3,(H,22,26).
What are the key properties of benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 400.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 90629153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).