(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate

C25H23N3O2 — CID 155530277

IUPAC(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
SMILESN#Cc1cccc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H23N3O2/c26-18-22-12-7-13-23(27-22)30-25(29)28-16-14-21(15-17-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21,24H,14-17H2
InChIKeyYVHVBTNCHSDCDB-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.00
Rot. Bonds4

About (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate

(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate (PubChem CID 155530277) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
PubChem CID155530277
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
SMILESN#Cc1cccc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)n1
InChIInChI=1S/C25H23N3O2/c26-18-22-12-7-13-23(27-22)30-25(29)28-16-14-21(15-17-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21,24H,14-17H2
InChIKeyYVHVBTNCHSDCDB-UHFFFAOYSA-N
XLogP5.00
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The IUPAC name of (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate (CID 155530277) is (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate.
What is the SMILES notation for (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The canonical SMILES for (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate is N#Cc1cccc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)n1.
What is the InChIKey of (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The InChIKey is YVHVBTNCHSDCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-18-22-12-7-13-23(27-22)30-25(29)28-16-14-21(15-17-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,21,24H,14-17H2.
What are the key properties of (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
(6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate has a molecular weight of 397.48 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate is sourced from PubChem (CID 155530277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).