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

C18H26N2O4 — CID 86841468

IUPACmethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOc1ccccc1CCC(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-24-16-7-5-4-6-14(16)8-9-17(21)19-15-10-12-20(13-11-15)18(22)23-2/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyADUACNZPHDYICN-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.36
Rot. Bonds6

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

methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate (PubChem CID 86841468) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
PubChem CID86841468
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
SMILESCCOc1ccccc1CCC(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C18H26N2O4/c1-3-24-16-7-5-4-6-14(16)8-9-17(21)19-15-10-12-20(13-11-15)18(22)23-2/h4-7,15H,3,8-13H2,1-2H3,(H,19,21)
InChIKeyADUACNZPHDYICN-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

ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
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
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930449
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759
ethyl 4-(2-ethoxyanilino)piperidine-1-carboxylate
CID 43758190

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate (CID 86841468) is methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate is CCOc1ccccc1CCC(=O)NC1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
The InChIKey is ADUACNZPHDYICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-24-16-7-5-4-6-14(16)8-9-17(21)19-15-10-12-20(13-11-15)18(22)23-2/h4-7,15H,3,8-13H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate?
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate 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 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86841468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).