4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile

C29H23N3 — CID 102290405

IUPAC4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2ccc3nc4ccccc4cc3c12
InChIInChI=1S/C29H23N3/c30-19-25-28(32-15-7-2-8-16-32)18-23(20-9-3-1-4-10-20)22-13-14-27-24(29(22)25)17-21-11-5-6-12-26(21)31-27/h1,3-6,9-14,17-18H,2,7-8,15-16H2
InChIKeyJTZDQTRWAQDVDH-UHFFFAOYSA-N
MW413.52 g/mol
LogP7.07
Rot. Bonds2

About 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile

4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile (PubChem CID 102290405) has the molecular formula C29H23N3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
PubChem CID102290405
Molecular FormulaC29H23N3
Molecular Weight413.52 g/mol
Exact Mass413.19
IUPAC Name4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile
SMILESN#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2ccc3nc4ccccc4cc3c12
InChIInChI=1S/C29H23N3/c30-19-25-28(32-15-7-2-8-16-32)18-23(20-9-3-1-4-10-20)22-13-14-27-24(29(22)25)17-21-11-5-6-12-26(21)31-27/h1,3-6,9-14,17-18H,2,7-8,15-16H2
InChIKeyJTZDQTRWAQDVDH-UHFFFAOYSA-N
XLogP7.07
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-3-methoxy-2-phenyl-6-piperidin-1-ylbenzonitrile
CID 11711116
3-methoxy-2-methyl-4-naphthalen-2-yl-6-piperidin-1-ylbenzonitrile
CID 102382833
3-benzyl-2-methyl-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 138966498
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
4-phenyl-2-pyridin-2-yl-6-pyrrolidin-1-ylbenzonitrile
CID 72697030
1,3-diphenylacridine
CID 139708395
2-amino-4-(4-bromophenyl)-6-pyrrolidin-1-ylbenzene-1,3-dicarbonitrile
CID 15503660
4-phenyl-3-piperidin-1-ylphenol
CID 154350048
7-naphthalen-2-yl-9-piperidin-1-yl-5,6-dihydrobenzo[f]quinoline-10-carbonitrile
CID 102290398
2-(dimethoxymethyl)-4-phenyl-6-piperidin-1-ylbenzonitrile
CID 11221380
4-pyrrolidin-1-ylacridine
CID 154019163
10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
CID 102579281

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile?
The IUPAC name of 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile (CID 102290405) is 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile.
What is the SMILES notation for 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile?
The canonical SMILES for 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile is N#Cc1c(N2CCCCC2)cc(-c2ccccc2)c2ccc3nc4ccccc4cc3c12.
What is the InChIKey of 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile?
The InChIKey is JTZDQTRWAQDVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3/c30-19-25-28(32-15-7-2-8-16-32)18-23(20-9-3-1-4-10-20)22-13-14-27-24(29(22)25)17-21-11-5-6-12-26(21)31-27/h1,3-6,9-14,17-18H,2,7-8,15-16H2.
What are the key properties of 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile?
4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile has a molecular weight of 413.52 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-ylbenzo[a]acridine-1-carbonitrile is sourced from PubChem (CID 102290405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).