ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate

C12H23N3O4 — CID 79473770

IUPACethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)COCCN)C1
InChIInChI=1S/C12H23N3O4/c1-2-19-12(17)14-10-4-3-6-15(8-10)11(16)9-18-7-5-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyRYYANVRAEBALIV-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.30
Rot. Bonds6

About ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate (PubChem CID 79473770) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
PubChem CID79473770
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Nameethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)COCCN)C1
InChIInChI=1S/C12H23N3O4/c1-2-19-12(17)14-10-4-3-6-15(8-10)11(16)9-18-7-5-13/h10H,2-9,13H2,1H3,(H,14,17)
InChIKeyRYYANVRAEBALIV-UHFFFAOYSA-N
XLogP-0.30
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-(5-aminohexanoyl)piperidin-3-yl]carbamate
CID 82851351
ethyl N-[1-(2-piperazin-1-ylacetyl)piperidin-3-yl]carbamate
CID 60963639
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
ethyl N-[1-(2-bromopropanoyl)piperidin-3-yl]carbamate
CID 107904566
ethyl N-[1-(2-chloropropanoyl)piperidin-3-yl]carbamate
CID 54876025
ethyl N-[1-(3-amino-2,2,3-trimethylbutanoyl)piperidin-3-yl]carbamate
CID 65269908
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
ethyl N-[1-(2-amino-4-methylpentanoyl)piperidin-3-yl]carbamate
CID 60962778
ethyl N-[1-(2-aminocyclopentanecarbonyl)piperidin-3-yl]carbamate
CID 64822043

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate (CID 79473770) is ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)COCCN)C1.
What is the InChIKey of ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate?
The InChIKey is RYYANVRAEBALIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-2-19-12(17)14-10-4-3-6-15(8-10)11(16)9-18-7-5-13/h10H,2-9,13H2,1H3,(H,14,17).
What are the key properties of ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate has a molecular weight of 273.33 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 79473770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).