Pipercitine

C23H43NO — CID 12575258

IUPAC(E)-1-piperidin-1-yloctadec-2-en-1-one
SMILESCCCCCCCCCCCCCCC/C=C/C(=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/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyPPSREOHNKFETQU-LVZFUZTISA-N
MW349.60 g/mol
LogP8.90
Rot. Bonds15

About Pipercitine

Pipercitine (PubChem CID 12575258) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is (E)-1-piperidin-1-yloctadec-2-en-1-one.

Molecular Properties

Compound NamePipercitine
PubChem CID12575258
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name(E)-1-piperidin-1-yloctadec-2-en-1-one
SMILESCCCCCCCCCCCCCCC/C=C/C(=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/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+
InChIKeyPPSREOHNKFETQU-LVZFUZTISA-N
XLogP8.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity331

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-Arachidonylmaleimide
CID 25021164
(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E)-1-(Piperidin-1-yl)tetradeca-2,4-dien-1-one
CID 11130083
1-[(E)-2-Hexadecenoyl]piperidine
CID 53253850
2-Decen-1-one, 1-(1-piperidinyl)-, (2E)-
CID 10966538
Pipereicosalidine
CID 101634668
N-Oleylmaleimide
CID 45483976
(2E,4Z-Decadienoyl)piperidine
CID 21634287
Neopellitorine B
CID 11118018
(9Z)-1-(1-Piperidinyl)-9-octadecen-1-one
CID 5356538
1-[(E)-2-Tetradecenoyl]piperidine
CID 91715829
1-[(E)-2-Eicosenoyl]piperidine
CID 91715953

Frequently Asked Questions

What is the IUPAC name of Pipercitine?
The IUPAC name of Pipercitine (CID 12575258) is (E)-1-piperidin-1-yloctadec-2-en-1-one.
What is the SMILES notation for Pipercitine?
The canonical SMILES for Pipercitine is CCCCCCCCCCCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of Pipercitine?
The InChIKey is PPSREOHNKFETQU-LVZFUZTISA-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/h17,20H,2-16,18-19,21-22H2,1H3/b20-17+.
What are the key properties of Pipercitine?
Pipercitine has a molecular weight of 349.60 g/mol, XLogP of 8.90, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Pipercitine is sourced from PubChem (CID 12575258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).