1-pentadecyl-5-propan-2-ylpiperidin-2-one

C23H45NO — CID 166871927

IUPAC1-pentadecyl-5-propan-2-ylpiperidin-2-one
SMILESCCCCCCCCCCCCCCCN1CC(C(C)C)CCC1=O
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-22(21(2)3)17-18-23(24)25/h21-22H,4-20H2,1-3H3
InChIKeyOIHOGNOYESESJE-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.97
Rot. Bonds15

About 1-pentadecyl-5-propan-2-ylpiperidin-2-one

1-pentadecyl-5-propan-2-ylpiperidin-2-one (PubChem CID 166871927) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 1-pentadecyl-5-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1-pentadecyl-5-propan-2-ylpiperidin-2-one
PubChem CID166871927
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name1-pentadecyl-5-propan-2-ylpiperidin-2-one
SMILESCCCCCCCCCCCCCCCN1CC(C(C)C)CCC1=O
InChIInChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-22(21(2)3)17-18-23(24)25/h21-22H,4-20H2,1-3H3
InChIKeyOIHOGNOYESESJE-UHFFFAOYSA-N
XLogP6.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-pentadecyl-5-propan-2-ylpiperidin-2-one?
The IUPAC name of 1-pentadecyl-5-propan-2-ylpiperidin-2-one (CID 166871927) is 1-pentadecyl-5-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 1-pentadecyl-5-propan-2-ylpiperidin-2-one?
The canonical SMILES for 1-pentadecyl-5-propan-2-ylpiperidin-2-one is CCCCCCCCCCCCCCCN1CC(C(C)C)CCC1=O.
What is the InChIKey of 1-pentadecyl-5-propan-2-ylpiperidin-2-one?
The InChIKey is OIHOGNOYESESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-20-22(21(2)3)17-18-23(24)25/h21-22H,4-20H2,1-3H3.
What are the key properties of 1-pentadecyl-5-propan-2-ylpiperidin-2-one?
1-pentadecyl-5-propan-2-ylpiperidin-2-one has a molecular weight of 351.62 g/mol, XLogP of 6.97, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-5-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 166871927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).