N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide

C16H19N5O3 — CID 166386885

IUPACN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2ncn[nH]2)ccc1N1CCCCC1=O
InChIInChI=1S/C16H19N5O3/c1-24-13-8-11(19-15(22)9-14-17-10-18-20-14)5-6-12(13)21-7-3-2-4-16(21)23/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyQHIYCSUMTSHQAZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.51
Rot. Bonds5

About N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 166386885) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID166386885
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1cc(NC(=O)Cc2ncn[nH]2)ccc1N1CCCCC1=O
InChIInChI=1S/C16H19N5O3/c1-24-13-8-11(19-15(22)9-14-17-10-18-20-14)5-6-12(13)21-7-3-2-4-16(21)23/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,22)(H,17,18,20)
InChIKeyQHIYCSUMTSHQAZ-UHFFFAOYSA-N
XLogP1.51
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(2-methylpyrazol-3-yl)acetamide
CID 166280430
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 42525030
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
3,4,5-triethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 42525029
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
2-ethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687480
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 18140046
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 42396014
N-(3,4-dimethylphenyl)-N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679388

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide (CID 166386885) is N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide is COc1cc(NC(=O)Cc2ncn[nH]2)ccc1N1CCCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is QHIYCSUMTSHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-24-13-8-11(19-15(22)9-14-17-10-18-20-14)5-6-12(13)21-7-3-2-4-16(21)23/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,22)(H,17,18,20).
What are the key properties of N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide?
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-2-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 166386885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).