methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate

C18H26N2O4 — CID 108565166

IUPACmethyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)OC)CC2)cc1
InChIInChI=1S/C18H26N2O4/c1-3-4-14-5-7-16(8-6-14)24-13-17(21)20-11-9-15(10-12-20)19-18(22)23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyCEXLSFCEJYPTKQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.36
Rot. Bonds6

About methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate

methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate (PubChem CID 108565166) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
PubChem CID108565166
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate
SMILESCCCc1ccc(OCC(=O)N2CCC(NC(=O)OC)CC2)cc1
InChIInChI=1S/C18H26N2O4/c1-3-4-14-5-7-16(8-6-14)24-13-17(21)20-11-9-15(10-12-20)19-18(22)23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyCEXLSFCEJYPTKQ-UHFFFAOYSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056
methyl N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]carbamate
CID 110822979
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
2-(2-methoxyphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108556685
5-bromo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]furan-2-carboxamide
CID 108551728
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557843
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]thiophene-2-carboxamide
CID 108555909
2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
methyl 4-[2-(4-propylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568845
N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[2-oxo-2-[[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]amino]ethyl]benzamide
CID 108550430
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate (CID 108565166) is methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate is CCCc1ccc(OCC(=O)N2CCC(NC(=O)OC)CC2)cc1.
What is the InChIKey of methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate?
The InChIKey is CEXLSFCEJYPTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-14-5-7-16(8-6-14)24-13-17(21)20-11-9-15(10-12-20)19-18(22)23-2/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate?
methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108565166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).