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

C27H30N2O3 — CID 15952046

IUPAC[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O3/c30-27(28-24-9-5-2-6-10-24)32-26-13-11-25(12-14-26)31-20-19-29-17-15-23(16-18-29)21-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,28,30)
InChIKeyYWRFBFASVZTBPR-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.63
Rot. Bonds8

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

[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate (PubChem CID 15952046) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate.

Molecular Properties

Compound Name[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
PubChem CID15952046
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N2O3/c30-27(28-24-9-5-2-6-10-24)32-26-13-11-25(12-14-26)31-20-19-29-17-15-23(16-18-29)21-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,28,30)
InChIKeyYWRFBFASVZTBPR-UHFFFAOYSA-N
XLogP5.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2923141
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
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[4-[2-(2-ethylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate
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1-(4-benzylpiperidin-1-yl)-4-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]butane-1,4-dione
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[5-[2-(4-acetamidopiperidin-1-yl)ethoxy]-2-pyridinyl] N-phenylcarbamate
CID 15952238
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55410705
benzyl N-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
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4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
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CID 109032583

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The IUPAC name of [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate (CID 15952046) is [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate.
What is the SMILES notation for [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The canonical SMILES for [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate is O=C(Nc1ccccc1)Oc1ccc(OCCN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
The InChIKey is YWRFBFASVZTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c30-27(28-24-9-5-2-6-10-24)32-26-13-11-25(12-14-26)31-20-19-29-17-15-23(16-18-29)21-22-7-3-1-4-8-22/h1-14,23H,15-21H2,(H,28,30).
What are the key properties of [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate?
[4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate has a molecular weight of 430.55 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenyl] N-phenylcarbamate is sourced from PubChem (CID 15952046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).