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

C25H23N3O2 — CID 155535470

IUPAC(4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
SMILESN#Cc1ccnc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2
InChIKeyDRZSZCLNDDNNIQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.00
Rot. Bonds4

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

(4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate (PubChem CID 155535470) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
PubChem CID155535470
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name(4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate
SMILESN#Cc1ccnc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2
InChIKeyDRZSZCLNDDNNIQ-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

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Frequently Asked Questions

What is the IUPAC name of (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The IUPAC name of (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate (CID 155535470) is (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate.
What is the SMILES notation for (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The canonical SMILES for (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate is N#Cc1ccnc(OC(=O)N2CCC(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
The InChIKey is DRZSZCLNDDNNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c26-18-19-11-14-27-23(17-19)30-25(29)28-15-12-22(13-16-28)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17,22,24H,12-13,15-16H2.
What are the key properties of (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate?
(4-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 (4-cyano-2-pyridinyl) 4-benzhydrylpiperidine-1-carboxylate is sourced from PubChem (CID 155535470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).