1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one

C16H26N6O4 — CID 72937889

IUPAC1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
SMILESCOCCn1nnc(C2CN(C(=O)CN3CC(C)(C)CC3=O)CCO2)n1
InChIInChI=1S/C16H26N6O4/c1-16(2)8-13(23)21(11-16)10-14(24)20-4-7-26-12(9-20)15-17-19-22(18-15)5-6-25-3/h12H,4-11H2,1-3H3
InChIKeyHVTSPWITXUPYTG-UHFFFAOYSA-N
MW366.42 g/mol
LogP-0.52
Rot. Bonds6

About 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one

1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one (PubChem CID 72937889) has the molecular formula C16H26N6O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
PubChem CID72937889
Molecular FormulaC16H26N6O4
Molecular Weight366.42 g/mol
Exact Mass366.20
IUPAC Name1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one
SMILESCOCCn1nnc(C2CN(C(=O)CN3CC(C)(C)CC3=O)CCO2)n1
InChIInChI=1S/C16H26N6O4/c1-16(2)8-13(23)21(11-16)10-14(24)20-4-7-26-12(9-20)15-17-19-22(18-15)5-6-25-3/h12H,4-11H2,1-3H3
InChIKeyHVTSPWITXUPYTG-UHFFFAOYSA-N
XLogP-0.52
TPSA102.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72875963
N-(3-chloro-4-methylphenyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carboxamide
CID 155496538
2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine-4-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 155502291
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155507138
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]methanone
CID 155497460
[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 155500127
3-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]sulfonylbenzoic acid
CID 155497759
3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
(2S)-4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 97196275
4-(5-chloro-3-fluoro-2-pyridinyl)-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155509505
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholine
CID 155503723

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one (CID 72937889) is 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one is COCCn1nnc(C2CN(C(=O)CN3CC(C)(C)CC3=O)CCO2)n1.
What is the InChIKey of 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one?
The InChIKey is HVTSPWITXUPYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O4/c1-16(2)8-13(23)21(11-16)10-14(24)20-4-7-26-12(9-20)15-17-19-22(18-15)5-6-25-3/h12H,4-11H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one?
1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of -0.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-2-oxoethyl]-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 72937889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).