ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate

C17H26N2O4 — CID 135073632

IUPACethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)c(OCC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-4-22-17(20)18-14-5-6-15(21-3)16(11-14)23-12-13-7-9-19(2)10-8-13/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyLFSWTPGXAQPQIG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.98
Rot. Bonds6

About ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate

ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate (PubChem CID 135073632) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate
PubChem CID135073632
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nameethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(OC)c(OCC2CCN(C)CC2)c1
InChIInChI=1S/C17H26N2O4/c1-4-22-17(20)18-14-5-6-15(21-3)16(11-14)23-12-13-7-9-19(2)10-8-13/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,18,20)
InChIKeyLFSWTPGXAQPQIG-UHFFFAOYSA-N
XLogP2.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate?
The IUPAC name of ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate (CID 135073632) is ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate is CCOC(=O)Nc1ccc(OC)c(OCC2CCN(C)CC2)c1.
What is the InChIKey of ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate?
The InChIKey is LFSWTPGXAQPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-22-17(20)18-14-5-6-15(21-3)16(11-14)23-12-13-7-9-19(2)10-8-13/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,18,20).
What are the key properties of ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate?
ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-methoxy-3-[(1-methylpiperidin-4-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 135073632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).