4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide

C26H23N3O2 — CID 3044286

IUPAC4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1
InChIInChI=1S/C26H23N3O2/c30-25-21-11-5-4-8-19(21)18-24(22-12-6-7-13-23(22)25)28-14-16-29(17-15-28)26(31)27-20-9-2-1-3-10-20/h1-13,18H,14-17H2,(H,27,31)
InChIKeyPYFSXLPNNAIBDN-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.71
Rot. Bonds2

About 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide

4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide (PubChem CID 3044286) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
PubChem CID3044286
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1
InChIInChI=1S/C26H23N3O2/c30-25-21-11-5-4-8-19(21)18-24(22-12-6-7-13-23(22)25)28-14-16-29(17-15-28)26(31)27-20-9-2-1-3-10-20/h1-13,18H,14-17H2,(H,27,31)
InChIKeyPYFSXLPNNAIBDN-UHFFFAOYSA-N
XLogP4.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide 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
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
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
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
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
N-phenyl-4-[2-(trifluoromethyl)quinolin-1-ium-4-yl]piperazine-1-carboxamide
CID 7211127
N-phenyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 2951839
4-isoquinolin-4-yl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 166184115
4-(6-chloro-4-oxo-1,3-benzothiazin-2-yl)-N-phenylpiperazine-1-carboxamide
CID 134130759
4-(3-chloro-2-methylphenyl)-N-phenylpiperazine-1-carboxamide
CID 113076745
4-(2,6-dichlorophenyl)-N-phenylpiperazine-1-carboxamide
CID 113080443

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 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) is 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2cc3ccccc3c(=O)c3ccccc23)CC1.
What is the InChIKey of 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is PYFSXLPNNAIBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25-21-11-5-4-8-19(21)18-24(22-12-6-7-13-23(22)25)28-14-16-29(17-15-28)26(31)27-20-9-2-1-3-10-20/h1-13,18H,14-17H2,(H,27,31).
What are the key properties of 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide?
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 3044286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).