piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone

C18H22N2O — CID 143447171

IUPACpiperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCCC2)cc2c1=CC=CCC=2
InChIInChI=1S/C18H22N2O/c1-2-11-20-16-10-6-3-5-9-15(16)14-17(20)18(21)19-12-7-4-8-13-19/h2-3,6,9-10,14H,1,4-5,7-8,11-13H2
InChIKeyKZRVNHJUPZPIFN-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.82
Rot. Bonds3

About piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone

piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone (PubChem CID 143447171) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone
PubChem CID143447171
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Namepiperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone
SMILESC=CCn1c(C(=O)N2CCCCC2)cc2c1=CC=CCC=2
InChIInChI=1S/C18H22N2O/c1-2-11-20-16-10-6-3-5-9-15(16)14-17(20)18(21)19-12-7-4-8-13-19/h2-3,6,9-10,14H,1,4-5,7-8,11-13H2
InChIKeyKZRVNHJUPZPIFN-UHFFFAOYSA-N
XLogP1.82
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone (CID 143447171) is piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone is C=CCn1c(C(=O)N2CCCCC2)cc2c1=CC=CCC=2.
What is the InChIKey of piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone?
The InChIKey is KZRVNHJUPZPIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-11-20-16-10-6-3-5-9-15(16)14-17(20)18(21)19-12-7-4-8-13-19/h2-3,6,9-10,14H,1,4-5,7-8,11-13H2.
What are the key properties of piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone?
piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-prop-2-enyl-5H-cyclohepta[b]pyrrol-2-yl)methanone is sourced from PubChem (CID 143447171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).