(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate

C20H21N5O2 — CID 57455824

IUPAC(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
SMILESO=C(On1cncc1-c1ccccn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(27-25-16-21-14-19(25)18-8-4-5-9-22-18)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2
InChIKeyDLOJBDZHCJMVOO-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.31
Rot. Bonds4

About (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate

(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate (PubChem CID 57455824) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
PubChem CID57455824
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
SMILESO=C(On1cncc1-c1ccccn1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(27-25-16-21-14-19(25)18-8-4-5-9-22-18)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2
InChIKeyDLOJBDZHCJMVOO-UHFFFAOYSA-N
XLogP2.31
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-thiophen-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate
CID 57455823
benzyl 4-(pyridin-3-ylmethyl)piperazine-1-carboxylate
CID 110709124
tert-butyl 4-benzylpiperazine-1-carboxylate;methanol
CID 143725332
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
2-(4-benzylpiperazin-1-yl)-2-oxo-N-pyridin-2-ylacetamide
CID 44999265
(3-methylimidazol-4-yl)-[4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134705814
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945

Frequently Asked Questions

What is the IUPAC name of (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The IUPAC name of (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate (CID 57455824) is (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate.
What is the SMILES notation for (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The canonical SMILES for (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate is O=C(On1cncc1-c1ccccn1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
The InChIKey is DLOJBDZHCJMVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(27-25-16-21-14-19(25)18-8-4-5-9-22-18)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2.
What are the key properties of (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate?
(5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate has a molecular weight of 363.42 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-2-ylimidazol-1-yl) 4-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 57455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).