3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide

C18H24N4O2 — CID 95274181

IUPAC3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
SMILESCc1cc(C)n(C[C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(20-13)12-17-11-21(6-7-24-17)10-15-4-3-5-16(9-15)18(19)23/h3-5,8-9,17H,6-7,10-12H2,1-2H3,(H2,19,23)/t17-/m1/s1
InChIKeyXSJDWWBNZYYENN-QGZVFWFLSA-N
MW328.42 g/mol
LogP1.50
Rot. Bonds5

About 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide

3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide (PubChem CID 95274181) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
PubChem CID95274181
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
SMILESCc1cc(C)n(C[C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1
InChIInChI=1S/C18H24N4O2/c1-13-8-14(2)22(20-13)12-17-11-21(6-7-24-17)10-15-4-3-5-16(9-15)18(19)23/h3-5,8-9,17H,6-7,10-12H2,1-2H3,(H2,19,23)/t17-/m1/s1
InChIKeyXSJDWWBNZYYENN-QGZVFWFLSA-N
XLogP1.50
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 95274004
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 95304496
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]morpholine
CID 95274185
1-(azetidin-1-yl)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]ethanone
CID 95274182
4-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]pyridine-3-carboxamide
CID 133443391
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95274014
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895534
3-[[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 124998880
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide?
The IUPAC name of 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide (CID 95274181) is 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide?
The canonical SMILES for 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide is Cc1cc(C)n(C[C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1.
What is the InChIKey of 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide?
The InChIKey is XSJDWWBNZYYENN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-8-14(2)22(20-13)12-17-11-21(6-7-24-17)10-15-4-3-5-16(9-15)18(19)23/h3-5,8-9,17H,6-7,10-12H2,1-2H3,(H2,19,23)/t17-/m1/s1.
What are the key properties of 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide?
3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide has a molecular weight of 328.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 95274181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).