[3-(azocan-1-yl)-3-oxopropyl] carbamate

C11H20N2O3 — CID 69258184

IUPAC[3-(azocan-1-yl)-3-oxopropyl] carbamate
SMILESNC(=O)OCCC(=O)N1CCCCCCC1
InChIInChI=1S/C11H20N2O3/c12-11(15)16-9-6-10(14)13-7-4-2-1-3-5-8-13/h1-9H2,(H2,12,15)
InChIKeyVUZLSGJGYIDOMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.26
Rot. Bonds3

About [3-(azocan-1-yl)-3-oxopropyl] carbamate

[3-(azocan-1-yl)-3-oxopropyl] carbamate (PubChem CID 69258184) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is [3-(azocan-1-yl)-3-oxopropyl] carbamate.

Molecular Properties

Compound Name[3-(azocan-1-yl)-3-oxopropyl] carbamate
PubChem CID69258184
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name[3-(azocan-1-yl)-3-oxopropyl] carbamate
SMILESNC(=O)OCCC(=O)N1CCCCCCC1
InChIInChI=1S/C11H20N2O3/c12-11(15)16-9-6-10(14)13-7-4-2-1-3-5-8-13/h1-9H2,(H2,12,15)
InChIKeyVUZLSGJGYIDOMW-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-ethoxy-1-piperidin-1-ylpropan-1-one
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3-methylperoxy-1-pyrrolidin-1-ylpropan-1-one
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3-[4-(2-methoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
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chloromethyl 4-(azepan-1-yl)-4-oxobutanoate
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3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of [3-(azocan-1-yl)-3-oxopropyl] carbamate?
The IUPAC name of [3-(azocan-1-yl)-3-oxopropyl] carbamate (CID 69258184) is [3-(azocan-1-yl)-3-oxopropyl] carbamate.
What is the SMILES notation for [3-(azocan-1-yl)-3-oxopropyl] carbamate?
The canonical SMILES for [3-(azocan-1-yl)-3-oxopropyl] carbamate is NC(=O)OCCC(=O)N1CCCCCCC1.
What is the InChIKey of [3-(azocan-1-yl)-3-oxopropyl] carbamate?
The InChIKey is VUZLSGJGYIDOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c12-11(15)16-9-6-10(14)13-7-4-2-1-3-5-8-13/h1-9H2,(H2,12,15).
What are the key properties of [3-(azocan-1-yl)-3-oxopropyl] carbamate?
[3-(azocan-1-yl)-3-oxopropyl] carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azocan-1-yl)-3-oxopropyl] carbamate is sourced from PubChem (CID 69258184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).