2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate

C18H26N2O2 — CID 142021465

IUPAC2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-3-12-20(17-9-13-19(2)14-10-17)18(21)22-15-11-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyZSBIDHZMYQJIBJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.95
Rot. Bonds6

About 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate

2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate (PubChem CID 142021465) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Name2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate
PubChem CID142021465
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OCCc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C18H26N2O2/c1-3-12-20(17-9-13-19(2)14-10-17)18(21)22-15-11-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3
InChIKeyZSBIDHZMYQJIBJ-UHFFFAOYSA-N
XLogP2.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate;(3S)-1-(cyclohexylmethyl)-3-phenylpyrrolidine;formic acid
CID 142021447
benzyl N-[4-(6-morpholin-4-ylhexoxy)cyclohexyl]-N-prop-2-enylcarbamate
CID 69198204
2-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-N-prop-2-enylacetamide
CID 89167069
1-methyl-4-(2-phenylethoxy)piperidine
CID 18722996
(4-iodophenyl)methyl N-[1-(6-iodo-3-methyl-3-phenylhexyl)piperidin-4-yl]-N-prop-2-enylcarbamate
CID 163730201
benzyl N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
CID 57029005
2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
CID 79345819
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
2-[methyl-[2-methyl-4-[4-[(4-methylphenyl)methoxycarbonyl-prop-2-enylamino]piperidin-1-yl]-2-phenylbutanoyl]amino]acetic acid
CID 54519048
2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175337647
benzyl N-(2-methylcyclopropyl)-N-(1-methylpiperidin-4-yl)carbamate
CID 142021413
N-(1-hydroxypiperidin-4-yl)-N-prop-2-enylbenzamide
CID 143833867

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate?
The IUPAC name of 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate (CID 142021465) is 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate is C=CCN(C(=O)OCCc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate?
The InChIKey is ZSBIDHZMYQJIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-12-20(17-9-13-19(2)14-10-17)18(21)22-15-11-16-7-5-4-6-8-16/h3-8,17H,1,9-15H2,2H3.
What are the key properties of 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate?
2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate has a molecular weight of 302.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(1-methylpiperidin-4-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 142021465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).