[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate

C21H26N4O4 — CID 15952238

IUPAC[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate
SMILESCC(=O)NC1CCN(CCOc2ccc(OC(=O)Nc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O4/c1-16(26)23-18-9-11-25(12-10-18)13-14-28-19-7-8-20(22-15-19)29-21(27)24-17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeySXDUGHUNFWEUPJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.67
Rot. Bonds7

About [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate

[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate (PubChem CID 15952238) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate.

Molecular Properties

Compound Name[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate
PubChem CID15952238
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate
SMILESCC(=O)NC1CCN(CCOc2ccc(OC(=O)Nc3ccccc3)nc2)CC1
InChIInChI=1S/C21H26N4O4/c1-16(26)23-18-9-11-25(12-10-18)13-14-28-19-7-8-20(22-15-19)29-21(27)24-17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H,23,26)(H,24,27)
InChIKeySXDUGHUNFWEUPJ-UHFFFAOYSA-N
XLogP2.67
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
1-[2-[[6-(3-phenylpropoxy)-3-pyridinyl]oxy]ethyl]piperidine-4-carboxylic acid
CID 58723260
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 142996981
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
CID 24895862
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
(2R)-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 138996283
6-ethoxy-N-[1-(phenylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 87034036
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37469462

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate?
The IUPAC name of [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate (CID 15952238) is [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate.
What is the SMILES notation for [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate?
The canonical SMILES for [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate is CC(=O)NC1CCN(CCOc2ccc(OC(=O)Nc3ccccc3)nc2)CC1.
What is the InChIKey of [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate?
The InChIKey is SXDUGHUNFWEUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-16(26)23-18-9-11-25(12-10-18)13-14-28-19-7-8-20(22-15-19)29-21(27)24-17-5-3-2-4-6-17/h2-8,15,18H,9-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate?
[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate has a molecular weight of 398.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate is sourced from PubChem (CID 15952238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).