ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate

C19H28N2O4 — CID 31844266

IUPACethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccccc2OCC)CC1
InChIInChI=1S/C19H28N2O4/c1-3-24-17-8-6-5-7-15(17)9-10-18(22)20-16-11-13-21(14-12-16)19(23)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyLXJAXDMIHHXOLY-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.76
Rot. Bonds7

About ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 31844266) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
PubChem CID31844266
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Nameethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2ccccc2OCC)CC1
InChIInChI=1S/C19H28N2O4/c1-3-24-17-8-6-5-7-15(17)9-10-18(22)20-16-11-13-21(14-12-16)19(23)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,22)
InChIKeyLXJAXDMIHHXOLY-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
3-(2-ethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 55960312
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
ethyl 4-[[N'-[(2-ethoxyphenyl)methyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327560
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930449
ethyl 4-[[N'-[[2-(cyclopropylmethoxy)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111812908
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate (CID 31844266) is ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2ccccc2OCC)CC1.
What is the InChIKey of ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is LXJAXDMIHHXOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-3-24-17-8-6-5-7-15(17)9-10-18(22)20-16-11-13-21(14-12-16)19(23)25-4-2/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 31844266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).