(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate

C21H22N4O2 — CID 58270760

IUPAC(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(C2=NC(c3ccccc3)=NC2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-19(8-5-11-22-15)27-21(26)25-12-9-16(10-13-25)18-14-23-20(24-18)17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-14H2,1H3
InChIKeyULXXWVLHOZSQDZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.50
Rot. Bonds3

About (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate

(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate (PubChem CID 58270760) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
PubChem CID58270760
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(C2=NC(c3ccccc3)=NC2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-19(8-5-11-22-15)27-21(26)25-12-9-16(10-13-25)18-14-23-20(24-18)17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-14H2,1H3
InChIKeyULXXWVLHOZSQDZ-UHFFFAOYSA-N
XLogP3.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate (CID 58270760) is (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate is Cc1ncccc1OC(=O)N1CCC(C2=NC(c3ccccc3)=NC2)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate?
The InChIKey is ULXXWVLHOZSQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-19(8-5-11-22-15)27-21(26)25-12-9-16(10-13-25)18-14-23-20(24-18)17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-14H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58270760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).