(1-benzylpiperidin-4-yl) N-phenylcarbamate

C19H22N2O2 — CID 15233435

IUPAC(1-benzylpiperidin-4-yl) N-phenylcarbamate
SMILESC1CN(CCC1OC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C19H22N2O2/c22-19(20-17-9-5-2-6-10-17)23-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)
InChIKeyHGOQLBZCERINRQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.60
Rot. Bonds5

About (1-benzylpiperidin-4-yl) N-phenylcarbamate

(1-benzylpiperidin-4-yl) N-phenylcarbamate (PubChem CID 15233435) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) N-phenylcarbamate
PubChem CID15233435
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(1-benzylpiperidin-4-yl) N-phenylcarbamate
SMILESC1CN(CCC1OC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3
InChIInChI=1S/C19H22N2O2/c22-19(20-17-9-5-2-6-10-17)23-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22)
InChIKeyHGOQLBZCERINRQ-UHFFFAOYSA-N
XLogP3.60
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity354

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(+-)-Diperodon
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C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
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1-azabicyclo[2.2.2]octan-4-yl N-(2-phenylphenyl)carbamate;hydrochloride
CID 9798899
1-(9-Aminononyl)piperidin-4-yl biphenyl-2-ylcarbamate
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[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] N-(4-fluoro-2-phenylphenyl)carbamate
CID 138710768
piperidin-4-ylmethyl N-[4-fluoro-2-(4-fluorophenyl)phenyl]carbamate
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piperidin-4-ylmethyl N-(4-fluoro-2-phenylphenyl)carbamate
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2-(4-benzylpiperazin-1-yl)-N-phenylacetamide
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1-azabicyclo[2.2.2]oct-3-yl N-(3-methylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) N-phenylcarbamate?
The IUPAC name of (1-benzylpiperidin-4-yl) N-phenylcarbamate (CID 15233435) is (1-benzylpiperidin-4-yl) N-phenylcarbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) N-phenylcarbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl) N-phenylcarbamate is C1CN(CCC1OC(=O)NC2=CC=CC=C2)CC3=CC=CC=C3.
What is the InChIKey of (1-benzylpiperidin-4-yl) N-phenylcarbamate?
The InChIKey is HGOQLBZCERINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-17-9-5-2-6-10-17)23-18-11-13-21(14-12-18)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,20,22).
What are the key properties of (1-benzylpiperidin-4-yl) N-phenylcarbamate?
(1-benzylpiperidin-4-yl) N-phenylcarbamate has a molecular weight of 310.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) N-phenylcarbamate is sourced from PubChem (CID 15233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).