3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide

C15H17N5O3 — CID 121154782

IUPAC3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C15H17N5O3/c1-23-13-4-2-3-11(7-13)15(22)16-8-14(21)19-9-12(10-19)20-6-5-17-18-20/h2-7,12H,8-10H2,1H3,(H,16,22)
InChIKeyMQIFWWOODJAVOK-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.10
Rot. Bonds5

About 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide

3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide (PubChem CID 121154782) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
PubChem CID121154782
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N2CC(n3ccnn3)C2)c1
InChIInChI=1S/C15H17N5O3/c1-23-13-4-2-3-11(7-13)15(22)16-8-14(21)19-9-12(10-19)20-6-5-17-18-20/h2-7,12H,8-10H2,1H3,(H,16,22)
InChIKeyMQIFWWOODJAVOK-UHFFFAOYSA-N
XLogP0.10
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[(1-acetylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 110736146
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 136522528
3-methoxy-N-[[1-(3-methoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 17385439

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide (CID 121154782) is 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCC(=O)N2CC(n3ccnn3)C2)c1.
What is the InChIKey of 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide?
The InChIKey is MQIFWWOODJAVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-23-13-4-2-3-11(7-13)15(22)16-8-14(21)19-9-12(10-19)20-6-5-17-18-20/h2-7,12H,8-10H2,1H3,(H,16,22).
What are the key properties of 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide?
3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide has a molecular weight of 315.33 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 121154782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).