(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

C16H22N4O2 — CID 129335318

IUPAC(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCCc1cc(C)c(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)o1
InChIInChI=1S/C16H22N4O2/c1-4-12-9-11(2)14(22-12)16(21)20-8-7-19(3)13(10-20)15-17-5-6-18-15/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyPAJNMDHJEKLYIL-ZDUSSCGKSA-N
MW302.38 g/mol
LogP2.00
Rot. Bonds3

About (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone

(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (PubChem CID 129335318) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
PubChem CID129335318
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
SMILESCCc1cc(C)c(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)o1
InChIInChI=1S/C16H22N4O2/c1-4-12-9-11(2)14(22-12)16(21)20-8-7-19(3)13(10-20)15-17-5-6-18-15/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyPAJNMDHJEKLYIL-ZDUSSCGKSA-N
XLogP2.00
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 129332731
[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 128993003
4-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazine-1-carbonyl]-3-methylbenzonitrile
CID 129331848
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 129329822
[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129337065
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129337888
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 128993031
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-thiophen-3-ylmethanone
CID 129337486
(2R)-2-hydroxy-1-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-2-methylpentan-1-one
CID 129329291
[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-(3-methoxyphenyl)methanone
CID 129341861
1-benzofuran-3-yl-[(3R)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone
CID 129329066

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone (CID 129335318) is (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is CCc1cc(C)c(C(=O)N2CCN(C)[C@H](c3ncc[nH]3)C2)o1.
What is the InChIKey of (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
The InChIKey is PAJNMDHJEKLYIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-12-9-11(2)14(22-12)16(21)20-8-7-19(3)13(10-20)15-17-5-6-18-15/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone?
(5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone has a molecular weight of 302.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methylfuran-2-yl)-[(3S)-3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 129335318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).