2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate

C13H25N3O2 — CID 83210601

IUPAC2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCCC1C1CCCCN1
InChIInChI=1S/C13H25N3O2/c14-13(17)18-9-8-16-12-6-3-4-10(12)11-5-1-2-7-15-11/h10-12,15-16H,1-9H2,(H2,14,17)
InChIKeyDJSBRLFVYRJPAS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.98
Rot. Bonds5

About 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate

2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate (PubChem CID 83210601) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate
PubChem CID83210601
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCCC1C1CCCCN1
InChIInChI=1S/C13H25N3O2/c14-13(17)18-9-8-16-12-6-3-4-10(12)11-5-1-2-7-15-11/h10-12,15-16H,1-9H2,(H2,14,17)
InChIKeyDJSBRLFVYRJPAS-UHFFFAOYSA-N
XLogP0.98
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate (CID 83210601) is 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate is NC(=O)OCCNC1CCCC1C1CCCCN1.
What is the InChIKey of 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate?
The InChIKey is DJSBRLFVYRJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-13(17)18-9-8-16-12-6-3-4-10(12)11-5-1-2-7-15-11/h10-12,15-16H,1-9H2,(H2,14,17).
What are the key properties of 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate?
2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate has a molecular weight of 255.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate is sourced from PubChem (CID 83210601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).