2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone

C18H23N5O4 — CID 92632795

IUPAC2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
SMILESC[C@@]1(C(=O)N2CCOCC2)CN(C(=O)Cn2nnc3ccccc32)CCO1
InChIInChI=1S/C18H23N5O4/c1-18(17(25)21-6-9-26-10-7-21)13-22(8-11-27-18)16(24)12-23-15-5-3-2-4-14(15)19-20-23/h2-5H,6-13H2,1H3/t18-/m0/s1
InChIKeyHOJVUILDCUSQGE-SFHVURJKSA-N
MW373.41 g/mol
LogP-0.09
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone

2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone (PubChem CID 92632795) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
PubChem CID92632795
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
SMILESC[C@@]1(C(=O)N2CCOCC2)CN(C(=O)Cn2nnc3ccccc32)CCO1
InChIInChI=1S/C18H23N5O4/c1-18(17(25)21-6-9-26-10-7-21)13-22(8-11-27-18)16(24)12-23-15-5-3-2-4-14(15)19-20-23/h2-5H,6-13H2,1H3/t18-/m0/s1
InChIKeyHOJVUILDCUSQGE-SFHVURJKSA-N
XLogP-0.09
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N,3-dimethylpiperidine-3-carboxamide
CID 92632488
1-[(2R)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 92632639
2-(benzotriazol-1-yl)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 166227750
1-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)-2-(benzotriazol-1-yl)ethanone
CID 166245049
2-(benzotriazol-1-yl)-1-[(2R)-2-[5-(morpholine-4-carbonyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92623245
1-[(4S,5S)-4-(4-acetylpiperazin-1-yl)-5-hydroxyazepan-1-yl]-2-(benzotriazol-1-yl)ethanone
CID 110164424
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
3-(benzotriazol-1-yl)-1-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 70731348
2-[4-[2-(benzotriazol-1-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447071
2-(benzotriazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 46958886
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone (CID 92632795) is 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone is C[C@@]1(C(=O)N2CCOCC2)CN(C(=O)Cn2nnc3ccccc32)CCO1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone?
The InChIKey is HOJVUILDCUSQGE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-18(17(25)21-6-9-26-10-7-21)13-22(8-11-27-18)16(24)12-23-15-5-3-2-4-14(15)19-20-23/h2-5H,6-13H2,1H3/t18-/m0/s1.
What are the key properties of 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone?
2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone has a molecular weight of 373.41 g/mol, XLogP of -0.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 92632795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).