[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone

C15H19N5O — CID 71788592

IUPAC[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H19N5O/c21-15(14-2-1-3-16-12-14)20-10-8-18(9-11-20)6-7-19-5-4-17-13-19/h1-5,12-13H,6-11H2
InChIKeyLEFUDUPSCIEKDW-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.74
Rot. Bonds4

About [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone

[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 71788592) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID71788592
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C15H19N5O/c21-15(14-2-1-3-16-12-14)20-10-8-18(9-11-20)6-7-19-5-4-17-13-19/h1-5,12-13H,6-11H2
InChIKeyLEFUDUPSCIEKDW-UHFFFAOYSA-N
XLogP0.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 90533226
[4-(2-chloroethyl)piperazin-1-yl]-pyridin-3-ylmethanone;hydrochloride
CID 82032366
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90533257
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
(3,4-difluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788576
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538

Frequently Asked Questions

What is the IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone (CID 71788592) is [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LEFUDUPSCIEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(14-2-1-3-16-12-14)20-10-8-18(9-11-20)6-7-19-5-4-17-13-19/h1-5,12-13H,6-11H2.
What are the key properties of [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone?
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 285.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 71788592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).