6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate

C19H37N3O4 — CID 2729096

IUPAC6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCCCCCCNC(=O)OC1CCNCC1
InChIInChI=1S/C19H37N3O4/c1-2-3-4-7-12-21-18(23)25-16-9-6-5-8-13-22-19(24)26-17-10-14-20-15-11-17/h17,20H,2-16H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOEYVFSGKGKRFT-UHFFFAOYSA-N
MW371.52 g/mol
LogP3.33
Rot. Bonds13

About 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate

6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate (PubChem CID 2729096) has the molecular formula C19H37N3O4 and a molecular weight of 371.52 g/mol. Its IUPAC name is 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate.

Molecular Properties

Compound Name6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
PubChem CID2729096
Molecular FormulaC19H37N3O4
Molecular Weight371.52 g/mol
Exact Mass371.28
IUPAC Name6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate
SMILESCCCCCCNC(=O)OCCCCCCNC(=O)OC1CCNCC1
InChIInChI=1S/C19H37N3O4/c1-2-3-4-7-12-21-18(23)25-16-9-6-5-8-13-22-19(24)26-17-10-14-20-15-11-17/h17,20H,2-16H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOEYVFSGKGKRFT-UHFFFAOYSA-N
XLogP3.33
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate?
The IUPAC name of 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate (CID 2729096) is 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate.
What is the SMILES notation for 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate?
The canonical SMILES for 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate is CCCCCCNC(=O)OCCCCCCNC(=O)OC1CCNCC1.
What is the InChIKey of 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate?
The InChIKey is MOEYVFSGKGKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O4/c1-2-3-4-7-12-21-18(23)25-16-9-6-5-8-13-22-19(24)26-17-10-14-20-15-11-17/h17,20H,2-16H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate?
6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate has a molecular weight of 371.52 g/mol, XLogP of 3.33, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-yloxycarbonylamino)hexyl N-hexylcarbamate is sourced from PubChem (CID 2729096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).