4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide

C15H19N5O3 — CID 110268223

IUPAC4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)CCn2nnc3ccccc32)CCO1
InChIInChI=1S/C15H19N5O3/c1-15(14(16)22)10-19(8-9-23-15)13(21)6-7-20-12-5-3-2-4-11(12)17-18-20/h2-5H,6-10H2,1H3,(H2,16,22)
InChIKeyUXUACJVLUMNCLD-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.08
Rot. Bonds4

About 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide

4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide (PubChem CID 110268223) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
PubChem CID110268223
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
SMILESCC1(C(N)=O)CN(C(=O)CCn2nnc3ccccc32)CCO1
InChIInChI=1S/C15H19N5O3/c1-15(14(16)22)10-19(8-9-23-15)13(21)6-7-20-12-5-3-2-4-11(12)17-18-20/h2-5H,6-10H2,1H3,(H2,16,22)
InChIKeyUXUACJVLUMNCLD-UHFFFAOYSA-N
XLogP-0.08
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-1-[(2S)-2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]ethanone
CID 92632795
3-(benzotriazol-1-yl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 50961924
(5S)-7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723250
7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908682
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70744817
3-(benzotriazol-1-yl)-1-[6-hydroxy-6-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 70731348
3-(benzotriazol-1-yl)-1-[(3S,4S)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]propan-1-one
CID 133124667
(2R)-2-methyl-4-(2-naphthalen-2-ylacetyl)morpholine-2-carboxamide
CID 124986005
4-[4-(3,5-dimethylpyrazol-1-yl)butanoyl]-2-methylmorpholine-2-carboxamide
CID 110268310
(2R)-4-[3-(4-fluorophenyl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 95838195
2-methyl-4-[3-(2-propan-2-ylimidazol-1-yl)propanoyl]morpholine-2-carboxamide
CID 127247698
2-methyl-4-(2-pyrazol-1-ylacetyl)morpholine-2-carboxamide
CID 73439576

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide (CID 110268223) is 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide is CC1(C(N)=O)CN(C(=O)CCn2nnc3ccccc32)CCO1.
What is the InChIKey of 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is UXUACJVLUMNCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-15(14(16)22)10-19(8-9-23-15)13(21)6-7-20-12-5-3-2-4-11(12)17-18-20/h2-5H,6-10H2,1H3,(H2,16,22).
What are the key properties of 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide?
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 110268223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).