methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate

C16H22N2O4 — CID 51102398

IUPACmethyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCc1ccc(O)c(C(=O)NC2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C16H22N2O4/c1-3-11-4-5-14(19)13(10-11)15(20)17-12-6-8-18(9-7-12)16(21)22-2/h4-5,10,12,19H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyDFMKMFCFKVSMCU-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.92
Rot. Bonds3

About methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate

methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 51102398) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID51102398
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCc1ccc(O)c(C(=O)NC2CCN(C(=O)OC)CC2)c1
InChIInChI=1S/C16H22N2O4/c1-3-11-4-5-14(19)13(10-11)15(20)17-12-6-8-18(9-7-12)16(21)22-2/h4-5,10,12,19H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyDFMKMFCFKVSMCU-UHFFFAOYSA-N
XLogP1.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate (CID 51102398) is methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate is CCc1ccc(O)c(C(=O)NC2CCN(C(=O)OC)CC2)c1.
What is the InChIKey of methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is DFMKMFCFKVSMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-11-4-5-14(19)13(10-11)15(20)17-12-6-8-18(9-7-12)16(21)22-2/h4-5,10,12,19H,3,6-9H2,1-2H3,(H,17,20).
What are the key properties of methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate?
methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-ethyl-2-hydroxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 51102398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).