4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide

C28H30N4O — CID 14183215

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
SMILESO=C(CCCN1CCN(c2ccccn2)CC1)NC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C28H30N4O/c33-27(13-7-17-31-18-20-32(21-19-31)26-12-5-6-16-29-26)30-28-24-10-3-1-8-22(24)14-15-23-9-2-4-11-25(23)28/h1-6,8-12,14-16,28H,7,13,17-21H2,(H,30,33)
InChIKeyYLANCBUVFZWLQV-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.37
Rot. Bonds6

About 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide

4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide (PubChem CID 14183215) has the molecular formula C28H30N4O and a molecular weight of 438.58 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
PubChem CID14183215
Molecular FormulaC28H30N4O
Molecular Weight438.58 g/mol
Exact Mass438.24
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide
SMILESO=C(CCCN1CCN(c2ccccn2)CC1)NC1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C28H30N4O/c33-27(13-7-17-31-18-20-32(21-19-31)26-12-5-6-16-29-26)30-28-24-10-3-1-8-22(24)14-15-23-9-2-4-11-25(23)28/h1-6,8-12,14-16,28H,7,13,17-21H2,(H,30,33)
InChIKeyYLANCBUVFZWLQV-UHFFFAOYSA-N
XLogP4.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide with MolForge

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Related Compounds

4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 71336050
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119393580
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide (CID 14183215) is 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide is O=C(CCCN1CCN(c2ccccn2)CC1)NC1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide?
The InChIKey is YLANCBUVFZWLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O/c33-27(13-7-17-31-18-20-32(21-19-31)26-12-5-6-16-29-26)30-28-24-10-3-1-8-22(24)14-15-23-9-2-4-11-25(23)28/h1-6,8-12,14-16,28H,7,13,17-21H2,(H,30,33).
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide?
4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide has a molecular weight of 438.58 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)butanamide is sourced from PubChem (CID 14183215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).