[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate

C22H28N2O3 — CID 142996981

IUPAC[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
SMILESCCC1CCCCN1CCOc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-19-10-6-7-15-24(19)16-17-26-20-11-13-21(14-12-20)27-22(25)23-18-8-4-3-5-9-18/h3-5,8-9,11-14,19H,2,6-7,10,15-17H2,1H3,(H,23,25)
InChIKeyXUFSAULHDSKLBU-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.94
Rot. Bonds7

About [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate

[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate (PubChem CID 142996981) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
PubChem CID142996981
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
SMILESCCC1CCCCN1CCOc1ccc(OC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-2-19-10-6-7-15-24(19)16-17-26-20-11-13-21(14-12-20)27-22(25)23-18-8-4-3-5-9-18/h3-5,8-9,11-14,19H,2,6-7,10,15-17H2,1H3,(H,23,25)
InChIKeyXUFSAULHDSKLBU-UHFFFAOYSA-N
XLogP4.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl]acetic acid
CID 63068600
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
CID 15952046
4-[2-(2-ethylazepan-1-yl)ethoxy]benzonitrile
CID 115642546
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
2-[2-(2-ethylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 60973416
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
2-methyl-N-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 100736402
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
methyl 2-[1-[2-(4-bromophenoxy)ethyl]piperidin-2-yl]acetate
CID 61360606
(2R)-2-cyclopropyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypropanamide
CID 125060316

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The IUPAC name of [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate (CID 142996981) is [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The canonical SMILES for [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate is CCC1CCCCN1CCOc1ccc(OC(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The InChIKey is XUFSAULHDSKLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-19-10-6-7-15-24(19)16-17-26-20-11-13-21(14-12-20)27-22(25)23-18-8-4-3-5-9-18/h3-5,8-9,11-14,19H,2,6-7,10,15-17H2,1H3,(H,23,25).
What are the key properties of [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate has a molecular weight of 368.48 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate is sourced from PubChem (CID 142996981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).