[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone

C18H25N5O — CID 129340403

IUPAC[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
SMILESCCc1cnccc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1
InChIInChI=1S/C18H25N5O/c1-4-14-12-19-7-6-15(14)18(24)23-11-10-22(5-2)16(13-23)17-20-8-9-21(17)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyXHWWKXVMWXAOQM-INIZCTEOSA-N
MW327.43 g/mol
LogP1.90
Rot. Bonds4

About [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone

[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone (PubChem CID 129340403) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
PubChem CID129340403
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
SMILESCCc1cnccc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1
InChIInChI=1S/C18H25N5O/c1-4-14-12-19-7-6-15(14)18(24)23-11-10-22(5-2)16(13-23)17-20-8-9-21(17)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1
InChIKeyXHWWKXVMWXAOQM-INIZCTEOSA-N
XLogP1.90
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone with MolForge

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Related Compounds

[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 129341691
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
(3S)-4-ethyl-3-(1-methylimidazol-2-yl)-N-(4-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 129339331
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 129000463
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 128991431
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone?
The IUPAC name of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone (CID 129340403) is [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone.
What is the SMILES notation for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone?
The canonical SMILES for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone is CCc1cnccc1C(=O)N1CCN(CC)[C@H](c2nccn2C)C1.
What is the InChIKey of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone?
The InChIKey is XHWWKXVMWXAOQM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-14-12-19-7-6-15(14)18(24)23-11-10-22(5-2)16(13-23)17-20-8-9-21(17)3/h6-9,12,16H,4-5,10-11,13H2,1-3H3/t16-/m0/s1.
What are the key properties of [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone?
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone has a molecular weight of 327.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone is sourced from PubChem (CID 129340403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).