prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate

C23H22N2O3 — CID 3044279

IUPACprop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H22N2O3/c1-2-15-28-23(27)25-13-11-24(12-14-25)21-16-17-7-3-4-8-18(17)22(26)20-10-6-5-9-19(20)21/h2-10,16H,1,11-15H2
InChIKeyOMIWWZYXSPGTRA-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.80
Rot. Bonds3

About prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate

prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate (PubChem CID 3044279) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate
PubChem CID3044279
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Nameprop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1
InChIInChI=1S/C23H22N2O3/c1-2-15-28-23(27)25-13-11-24(12-14-25)21-16-17-7-3-4-8-18(17)22(26)20-10-6-5-9-19(20)21/h2-10,16H,1,11-15H2
InChIKeyOMIWWZYXSPGTRA-UHFFFAOYSA-N
XLogP3.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate with MolForge

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Related Compounds

N,N-dimethyl-4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxamide
CID 3044285
ethyl 2-[[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carbonyl]amino]acetate
CID 3044287
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
N-methyl-2-[4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazin-1-yl]acetamide
CID 3044290
9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
9-[4-(bicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044281
prop-2-enyl 4-(3-bromophenyl)piperazine-1-carboxylate
CID 170459088
prop-2-enyl 4-(4-phenylbenzoyl)piperazine-1-carboxylate
CID 108567747
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 127503309
1-phenanthren-9-yl-4-phenylpiperazine
CID 101487522
bis(prop-2-enyl) 1,5-bis(naphthalen-2-ylmethyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 102388381
prop-2-enyl 4-(2-chloro-6-fluorobenzoyl)piperazine-1-carboxylate
CID 108570283

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate (CID 3044279) is prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1.
What is the InChIKey of prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate?
The InChIKey is OMIWWZYXSPGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-2-15-28-23(27)25-13-11-24(12-14-25)21-16-17-7-3-4-8-18(17)22(26)20-10-6-5-9-19(20)21/h2-10,16H,1,11-15H2.
What are the key properties of prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate?
prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxylate is sourced from PubChem (CID 3044279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).