(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate

C22H28N2O3 — CID 155549890

IUPAC(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate
SMILESCOc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-23-15-6-9-21(17-23)27-22(25)24(19-7-4-3-5-8-19)16-14-18-10-12-20(26-2)13-11-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3
InChIKeyBHZGFEFKRNVCQX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.98
Rot. Bonds6

About (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate

(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate (PubChem CID 155549890) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate
PubChem CID155549890
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate
SMILESCOc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1
InChIInChI=1S/C22H28N2O3/c1-23-15-6-9-21(17-23)27-22(25)24(19-7-4-3-5-8-19)16-14-18-10-12-20(26-2)13-11-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3
InChIKeyBHZGFEFKRNVCQX-UHFFFAOYSA-N
XLogP3.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate?
The IUPAC name of (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate (CID 155549890) is (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate.
What is the SMILES notation for (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate?
The canonical SMILES for (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate is COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1.
What is the InChIKey of (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate?
The InChIKey is BHZGFEFKRNVCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23-15-6-9-21(17-23)27-22(25)24(19-7-4-3-5-8-19)16-14-18-10-12-20(26-2)13-11-18/h3-5,7-8,10-13,21H,6,9,14-17H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate?
(1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate has a molecular weight of 368.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) N-[2-(4-methoxyphenyl)ethyl]-N-phenylcarbamate is sourced from PubChem (CID 155549890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).