(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate

C22H28N2O3 — CID 117068019

IUPAC(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H28N2O3/c1-3-26-20-13-8-7-12-19(20)23-21(25)27-17-22(14-9-15-24(2)16-22)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,23,25)
InChIKeyGJHLNXPARVEHAM-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.30
Rot. Bonds6

About (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate

(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate (PubChem CID 117068019) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate
PubChem CID117068019
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate
SMILESCCOc1ccccc1NC(=O)OCC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H28N2O3/c1-3-26-20-13-8-7-12-19(20)23-21(25)27-17-22(14-9-15-24(2)16-22)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,23,25)
InChIKeyGJHLNXPARVEHAM-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclohexyl]methyl N-(2-propoxyphenyl)carbamate
CID 4589541
N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 45000656
1-amino-N-(2-ethoxyphenyl)cyclopropane-1-carboxamide
CID 65463762
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228
phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
2-[1-[2-(2-ethoxyanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 31616843
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 68838404
ethyl 4-[3-(2-ethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950350
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate?
The IUPAC name of (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate (CID 117068019) is (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate.
What is the SMILES notation for (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate?
The canonical SMILES for (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate is CCOc1ccccc1NC(=O)OCC1(c2ccccc2)CCCN(C)C1.
What is the InChIKey of (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate?
The InChIKey is GJHLNXPARVEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-26-20-13-8-7-12-19(20)23-21(25)27-17-22(14-9-15-24(2)16-22)18-10-5-4-6-11-18/h4-8,10-13H,3,9,14-17H2,1-2H3,(H,23,25).
What are the key properties of (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate?
(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate has a molecular weight of 368.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate is sourced from PubChem (CID 117068019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).