5-(pentylamino)piperidin-2-one

C10H20N2O — CID 63662049

IUPAC5-(pentylamino)piperidin-2-one
SMILESCCCCCNC1CCC(=O)NC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-7-11-9-5-6-10(13)12-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyKLWHMKXLKBEHSS-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.04
Rot. Bonds5

About 5-(pentylamino)piperidin-2-one

5-(pentylamino)piperidin-2-one (PubChem CID 63662049) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(pentylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(pentylamino)piperidin-2-one
PubChem CID63662049
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-(pentylamino)piperidin-2-one
SMILESCCCCCNC1CCC(=O)NC1
InChIInChI=1S/C10H20N2O/c1-2-3-4-7-11-9-5-6-10(13)12-8-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyKLWHMKXLKBEHSS-UHFFFAOYSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-(pentylamino)piperidin-2-one?
The IUPAC name of 5-(pentylamino)piperidin-2-one (CID 63662049) is 5-(pentylamino)piperidin-2-one.
What is the SMILES notation for 5-(pentylamino)piperidin-2-one?
The canonical SMILES for 5-(pentylamino)piperidin-2-one is CCCCCNC1CCC(=O)NC1.
What is the InChIKey of 5-(pentylamino)piperidin-2-one?
The InChIKey is KLWHMKXLKBEHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-4-7-11-9-5-6-10(13)12-8-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 5-(pentylamino)piperidin-2-one?
5-(pentylamino)piperidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pentylamino)piperidin-2-one is sourced from PubChem (CID 63662049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).