[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate

C18H27N3O6 — CID 18999979

IUPAC[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyUQXMXDVYPAWLEB-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.31
Rot. Bonds8

About [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate

[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 18999979) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
PubChem CID18999979
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Name[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate
SMILESCCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23)
InChIKeyUQXMXDVYPAWLEB-UHFFFAOYSA-N
XLogP1.31
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109136883
[(2R,3R,4R,5S,6S)-6-[[deuterio(pyridin-2-ylmethyl)carbamoyl]oxymethyl]-3,4,5-trimethoxyoxan-2-yl]methyl 4-hydroxypiperidine-1-carboxylate
CID 139800082
[3-hydroxy-2-(pyridin-2-ylmethylcarbamoyloxy)propyl] N-(3-hydroxypropyl)carbamate
CID 67808772
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
[2-methoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] N-[10-(dimethylcarbamoylamino)decyl]carbamate
CID 19000023
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
CID 3485288
ethyl 4-[[3-(pyridin-2-ylmethylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112952020
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612
ethyl 4-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327294
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate (CID 18999979) is [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate is CCOC(COC(=O)NCc1ccccn1)COC(=O)N1CCC(O)CC1.
What is the InChIKey of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is UQXMXDVYPAWLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-2-25-16(13-27-18(24)21-9-6-15(22)7-10-21)12-26-17(23)20-11-14-5-3-4-8-19-14/h3-5,8,15-16,22H,2,6-7,9-13H2,1H3,(H,20,23).
What are the key properties of [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate?
[2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-3-(pyridin-2-ylmethylcarbamoyloxy)propyl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 18999979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).