(E)-1-piperidin-1-yltridec-2-en-1-one

C18H33NO — CID 102388697

IUPAC(E)-1-piperidin-1-yltridec-2-en-1-one
SMILESCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19-16-13-11-14-17-19/h12,15H,2-11,13-14,16-17H2,1H3/b15-12+
InChIKeyHSGIGXQYOWQLRW-NTCAYCPXSA-N
MW279.47 g/mol
LogP5.09
Rot. Bonds10

About (E)-1-piperidin-1-yltridec-2-en-1-one

(E)-1-piperidin-1-yltridec-2-en-1-one (PubChem CID 102388697) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is (E)-1-piperidin-1-yltridec-2-en-1-one.

Molecular Properties

Compound Name(E)-1-piperidin-1-yltridec-2-en-1-one
PubChem CID102388697
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name(E)-1-piperidin-1-yltridec-2-en-1-one
SMILESCCCCCCCCCC/C=C/C(=O)N1CCCCC1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19-16-13-11-14-17-19/h12,15H,2-11,13-14,16-17H2,1H3/b15-12+
InChIKeyHSGIGXQYOWQLRW-NTCAYCPXSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.47
LogP ≤ 55.09
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

(E)-1-(azepan-1-yl)dec-2-en-1-one
CID 46935133
1-(azepan-1-yl)dec-2-en-1-one
CID 66769739
1-pyrrolidin-1-ylicosa-2,4,14-trien-1-one
CID 76515599
(2E,4E,12Z)-1-pyrrolidin-1-yloctadeca-2,4,12-trien-1-one
CID 57338317
1-(4-hydroxypiperidin-1-yl)dec-2-en-1-one
CID 123727721
(E)-1-(azocan-1-yl)dec-3-en-1-one
CID 71738791
(5Z,9Z,17Z)-1-pyrrolidin-1-ylhexacosa-5,9,17-trien-1-one
CID 91705242
1-(1,3-thiazolidin-3-yl)dec-2-en-1-one
CID 123835401
(7Z,13Z)-1-pyrrolidin-1-yldocosa-7,13-dien-1-one
CID 91705104
1-pyrrolidin-1-ylhexadec-4-en-1-one
CID 163192567
1-pyrrolidin-1-yloctadec-6-en-1-one
CID 574885
(8Z,12Z)-1-pyrrolidin-1-yloctadeca-8,12-dien-1-one
CID 91705036

Frequently Asked Questions

What is the IUPAC name of (E)-1-piperidin-1-yltridec-2-en-1-one?
The IUPAC name of (E)-1-piperidin-1-yltridec-2-en-1-one (CID 102388697) is (E)-1-piperidin-1-yltridec-2-en-1-one.
What is the SMILES notation for (E)-1-piperidin-1-yltridec-2-en-1-one?
The canonical SMILES for (E)-1-piperidin-1-yltridec-2-en-1-one is CCCCCCCCCC/C=C/C(=O)N1CCCCC1.
What is the InChIKey of (E)-1-piperidin-1-yltridec-2-en-1-one?
The InChIKey is HSGIGXQYOWQLRW-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-12-15-18(20)19-16-13-11-14-17-19/h12,15H,2-11,13-14,16-17H2,1H3/b15-12+.
What are the key properties of (E)-1-piperidin-1-yltridec-2-en-1-one?
(E)-1-piperidin-1-yltridec-2-en-1-one has a molecular weight of 279.47 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-piperidin-1-yltridec-2-en-1-one is sourced from PubChem (CID 102388697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).