benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

C18H25NO4 — CID 14989191

IUPACbenzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H25NO4/c1-2-22-17(20)9-8-15-10-12-19(13-11-15)18(21)23-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyJPOQYJFPOGUIKT-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.38
Rot. Bonds6

About benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate

benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 14989191) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID14989191
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namebenzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCCOC(=O)CCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C18H25NO4/c1-2-22-17(20)9-8-15-10-12-19(13-11-15)18(21)23-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyJPOQYJFPOGUIKT-UHFFFAOYSA-N
XLogP3.38
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
CID 18187454
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
benzyl 4-[3-[3-[(3-ethoxy-3-oxopropyl)carbamoyl]-3,4-dihydro-2H-quinolin-1-yl]-3-oxopropyl]piperidine-1-carboxylate
CID 22611879
benzyl 4-(2-acetylsulfanylethyl)piperidine-1-carboxylate
CID 146241929
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835
ethyl 4-[3-(benzylamino)propyl]piperidine-1-carboxylate
CID 21241620
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate (CID 14989191) is benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is CCOC(=O)CCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is JPOQYJFPOGUIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-22-17(20)9-8-15-10-12-19(13-11-15)18(21)23-14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate?
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 14989191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).