(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one

C15H24N4O2 — CID 95290308

IUPAC(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one
SMILESCCn1ccnc1CN1CCN([C@@H]2C[C@@H](C)OC2=O)CC1
InChIInChI=1S/C15H24N4O2/c1-3-18-5-4-16-14(18)11-17-6-8-19(9-7-17)13-10-12(2)21-15(13)20/h4-5,12-13H,3,6-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGSDCUSHCLSFKLM-CHWSQXEVSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds4

About (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one

(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one (PubChem CID 95290308) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one
PubChem CID95290308
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one
SMILESCCn1ccnc1CN1CCN([C@@H]2C[C@@H](C)OC2=O)CC1
InChIInChI=1S/C15H24N4O2/c1-3-18-5-4-16-14(18)11-17-6-8-19(9-7-17)13-10-12(2)21-15(13)20/h4-5,12-13H,3,6-11H2,1-2H3/t12-,13-/m1/s1
InChIKeyGSDCUSHCLSFKLM-CHWSQXEVSA-N
XLogP0.72
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
CID 95283272
3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56802158
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95280328
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
3-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methyloxolan-2-one
CID 130667010
5-methyl-3-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]oxolan-2-one
CID 55472900
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(3S,5R)-3-[(1-benzylimidazol-2-yl)methyl-methylamino]-5-methyloxolan-2-one
CID 95902998
(2S)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95284949

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one (CID 95290308) is (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one is CCn1ccnc1CN1CCN([C@@H]2C[C@@H](C)OC2=O)CC1.
What is the InChIKey of (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one?
The InChIKey is GSDCUSHCLSFKLM-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-18-5-4-16-14(18)11-17-6-8-19(9-7-17)13-10-12(2)21-15(13)20/h4-5,12-13H,3,6-11H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one?
(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one has a molecular weight of 292.38 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 95290308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).