(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one

C14H22N4O2 — CID 95283272

IUPAC(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
SMILESCCn1ccnc1CN1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C14H22N4O2/c1-2-17-5-4-15-13(17)11-16-6-8-18(9-7-16)12-3-10-20-14(12)19/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1
InChIKeyYJTIAZZPQRKNMZ-GFCCVEGCSA-N
MW278.36 g/mol
LogP0.34
Rot. Bonds4

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

(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one (PubChem CID 95283272) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
PubChem CID95283272
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one
SMILESCCn1ccnc1CN1CCN([C@@H]2CCOC2=O)CC1
InChIInChI=1S/C14H22N4O2/c1-2-17-5-4-15-13(17)11-16-6-8-18(9-7-16)12-3-10-20-14(12)19/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1
InChIKeyYJTIAZZPQRKNMZ-GFCCVEGCSA-N
XLogP0.34
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-5-methyloxolan-2-one
CID 95290308
[(3R)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95220320
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
3-[2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 56802158
1-(1,3-benzodioxol-5-ylmethyl)-4-[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]piperazine
CID 92560415
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
4-[1-(2,2-dimethylpropyl)pyrrolidin-3-yl]-1-[(1-ethylimidazol-2-yl)methyl]piperidine
CID 45169566
(2R)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95280328

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one?
The IUPAC name of (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one (CID 95283272) is (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one is CCn1ccnc1CN1CCN([C@@H]2CCOC2=O)CC1.
What is the InChIKey of (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one?
The InChIKey is YJTIAZZPQRKNMZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-17-5-4-15-13(17)11-16-6-8-18(9-7-16)12-3-10-20-14(12)19/h4-5,12H,2-3,6-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one?
(3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one has a molecular weight of 278.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]oxolan-2-one is sourced from PubChem (CID 95283272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).