13-cyclopent-2-en-1-yltridecanoic acid;piperazine

C22H42N2O2 — CID 54610132

IUPAC13-cyclopent-2-en-1-yltridecanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H32O2.C4H10N2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17;1-2-6-4-3-5-1/h11,14,17H,1-10,12-13,15-16H2,(H,19,20);5-6H,1-4H2
InChIKeyPKMOTWAWLWXLLO-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.90
Rot. Bonds13

About 13-cyclopent-2-en-1-yltridecanoic acid;piperazine

13-cyclopent-2-en-1-yltridecanoic acid;piperazine (PubChem CID 54610132) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 13-cyclopent-2-en-1-yltridecanoic acid;piperazine.

Molecular Properties

Compound Name13-cyclopent-2-en-1-yltridecanoic acid;piperazine
PubChem CID54610132
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name13-cyclopent-2-en-1-yltridecanoic acid;piperazine
SMILESC1CNCCN1.O=C(O)CCCCCCCCCCCCC1C=CCC1
InChIInChI=1S/C18H32O2.C4H10N2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17;1-2-6-4-3-5-1/h11,14,17H,1-10,12-13,15-16H2,(H,19,20);5-6H,1-4H2
InChIKeyPKMOTWAWLWXLLO-UHFFFAOYSA-N
XLogP4.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-[(1R)-cyclopent-2-en-1-yl]tridecanamide
CID 141290555
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
CID 58163629
13-cyclopent-2-en-1-yltridecanoic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
CID 90014146
butanedioic acid;cyclopent-2-en-1-ylmethanol
CID 157480041
bis(hexanedioic acid);piperazine
CID 159642331
(E)-13-cyclopent-2-en-1-yltridec-2-enoic acid
CID 21158584
6-piperidin-4-ylhexanoic acid;hydrochloride
CID 175496975
(3S)-3-nonylcyclopentene
CID 90814175
(E,7R)-13-[(1S)-cyclopent-2-en-1-yl]-7-ethyltridec-4-enoic acid
CID 163058708
13-cyclopent-2-en-1-yl-N-[3-(dimethylamino)propyl]tridecanamide
CID 77488595
piperazine;tetradecanoic acid
CID 54603068
[(E)-17-[(1R)-cyclopent-2-en-1-yl]-5-oxoheptadec-10-enyl]-trimethylazanium
CID 58163576

Frequently Asked Questions

What is the IUPAC name of 13-cyclopent-2-en-1-yltridecanoic acid;piperazine?
The IUPAC name of 13-cyclopent-2-en-1-yltridecanoic acid;piperazine (CID 54610132) is 13-cyclopent-2-en-1-yltridecanoic acid;piperazine.
What is the SMILES notation for 13-cyclopent-2-en-1-yltridecanoic acid;piperazine?
The canonical SMILES for 13-cyclopent-2-en-1-yltridecanoic acid;piperazine is C1CNCCN1.O=C(O)CCCCCCCCCCCCC1C=CCC1.
What is the InChIKey of 13-cyclopent-2-en-1-yltridecanoic acid;piperazine?
The InChIKey is PKMOTWAWLWXLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2.C4H10N2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17;1-2-6-4-3-5-1/h11,14,17H,1-10,12-13,15-16H2,(H,19,20);5-6H,1-4H2.
What are the key properties of 13-cyclopent-2-en-1-yltridecanoic acid;piperazine?
13-cyclopent-2-en-1-yltridecanoic acid;piperazine has a molecular weight of 366.59 g/mol, XLogP of 4.90, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopent-2-en-1-yltridecanoic acid;piperazine is sourced from PubChem (CID 54610132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).