(Z)-1-piperidin-1-yloctadec-9-en-1-one

C23H43NO — CID 5356538

IUPAC(Z)-1-piperidin-1-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyMSYHTCRNDOWWKR-KTKRTIGZSA-N
MW349.60 g/mol
LogP7.04
Rot. Bonds15

About (Z)-1-piperidin-1-yloctadec-9-en-1-one

(Z)-1-piperidin-1-yloctadec-9-en-1-one (PubChem CID 5356538) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is (Z)-1-piperidin-1-yloctadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-piperidin-1-yloctadec-9-en-1-one
PubChem CID5356538
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name(Z)-1-piperidin-1-yloctadec-9-en-1-one
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCC1
InChIInChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h9-10H,2-8,11-22H2,1H3/b10-9-
InChIKeyMSYHTCRNDOWWKR-KTKRTIGZSA-N
XLogP7.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-piperidin-1-yloctadec-9-en-1-one?
The IUPAC name of (Z)-1-piperidin-1-yloctadec-9-en-1-one (CID 5356538) is (Z)-1-piperidin-1-yloctadec-9-en-1-one.
What is the SMILES notation for (Z)-1-piperidin-1-yloctadec-9-en-1-one?
The canonical SMILES for (Z)-1-piperidin-1-yloctadec-9-en-1-one is CCCCCCCC/C=C\CCCCCCCC(=O)N1CCCCC1.
What is the InChIKey of (Z)-1-piperidin-1-yloctadec-9-en-1-one?
The InChIKey is MSYHTCRNDOWWKR-KTKRTIGZSA-N. The full InChI is InChI=1S/C23H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(25)24-21-18-16-19-22-24/h9-10H,2-8,11-22H2,1H3/b10-9-.
What are the key properties of (Z)-1-piperidin-1-yloctadec-9-en-1-one?
(Z)-1-piperidin-1-yloctadec-9-en-1-one has a molecular weight of 349.60 g/mol, XLogP of 7.04, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-piperidin-1-yloctadec-9-en-1-one is sourced from PubChem (CID 5356538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).