2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

C17H24N4O2 — CID 42519260

IUPAC2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCO1
InChIInChI=1S/C17H24N4O2/c1-12(2)4-3-5-14-11-21(8-9-23-14)17(22)13-6-7-15-16(10-13)19-20-18-15/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLDPAGARWIMDOQB-CQSZACIVSA-N
MW316.40 g/mol
LogP2.63
Rot. Bonds5

About 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 42519260) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID42519260
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCO1
InChIInChI=1S/C17H24N4O2/c1-12(2)4-3-5-14-11-21(8-9-23-14)17(22)13-6-7-15-16(10-13)19-20-18-15/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,18,19,20)/t14-/m1/s1
InChIKeyLDPAGARWIMDOQB-CQSZACIVSA-N
XLogP2.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[2-(4-methylpentyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56866305
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
[2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56878736
[(2R)-2-(4-methylpentyl)morpholin-4-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95558114
1-[4-[[4-(2H-benzotriazole-5-carbonyl)morpholin-2-yl]methoxy]-3,5-difluorophenyl]propan-1-one
CID 23964317
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 155901308
2-methyl-1-[(2R)-2-(4-methylpentyl)morpholin-4-yl]propan-1-one
CID 95225161
(5-methoxyfuran-2-yl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 45182494
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
2H-benzotriazol-5-yl-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]methanone
CID 6413056

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (CID 42519260) is 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is CC(C)CCC[C@@H]1CN(C(=O)c2ccc3n[nH]nc3c2)CCO1.
What is the InChIKey of 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is LDPAGARWIMDOQB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)4-3-5-14-11-21(8-9-23-14)17(22)13-6-7-15-16(10-13)19-20-18-15/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 42519260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).