N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C17H23N5O2 — CID 94116750

IUPACN-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H23N5O2/c1-14(10-21-6-8-24-9-7-21)20-17(23)16-4-2-15(3-5-16)11-22-13-18-12-19-22/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyWBHYUUPGUXFXEB-CQSZACIVSA-N
MW329.40 g/mol
LogP0.78
Rot. Bonds6

About N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 94116750) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID94116750
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESC[C@H](CN1CCOCC1)NC(=O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H23N5O2/c1-14(10-21-6-8-24-9-7-21)20-17(23)16-4-2-15(3-5-16)11-22-13-18-12-19-22/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t14-/m1/s1
InChIKeyWBHYUUPGUXFXEB-CQSZACIVSA-N
XLogP0.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-4-(morpholin-4-ylmethyl)benzamide
CID 2863525
1-[4-(morpholin-4-ylmethyl)phenyl]-3-[1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 72868222
N-(1-methoxypropan-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18161214
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 87019914
N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 35251102
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
2-morpholin-4-yl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]acetamide
CID 75681051
N-[1-(1-benzofuran-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508806
N-(1-methylcyclobutyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 92583010
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 95124262
N-(1-pyridin-2-ylethyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24645556

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 94116750) is N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is C[C@H](CN1CCOCC1)NC(=O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is WBHYUUPGUXFXEB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-14(10-21-6-8-24-9-7-21)20-17(23)16-4-2-15(3-5-16)11-22-13-18-12-19-22/h2-5,12-14H,6-11H2,1H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 329.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-ylpropan-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 94116750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).