1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one

C20H21N5O2 — CID 167951808

IUPAC1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2cccc(-n3nccn3)c2)C1=O
InChIInChI=1S/C20H21N5O2/c1-27-19-10-3-2-9-18(19)24-13-5-8-17(20(24)26)23-15-6-4-7-16(14-15)25-21-11-12-22-25/h2-4,6-7,9-12,14,17,23H,5,8,13H2,1H3
InChIKeyYIMFCPGGSFHBPG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one

1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one (PubChem CID 167951808) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
PubChem CID167951808
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one
SMILESCOc1ccccc1N1CCCC(Nc2cccc(-n3nccn3)c2)C1=O
InChIInChI=1S/C20H21N5O2/c1-27-19-10-3-2-9-18(19)24-13-5-8-17(20(24)26)23-15-6-4-7-16(14-15)25-21-11-12-22-25/h2-4,6-7,9-12,14,17,23H,5,8,13H2,1H3
InChIKeyYIMFCPGGSFHBPG-UHFFFAOYSA-N
XLogP2.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(hydroxymethyl)anilino]-1-(2-methoxyphenyl)piperidin-2-one
CID 75372113
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-(2-methoxyphenyl)piperidin-2-one
CID 102557521
N-[1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]prop-2-enamide
CID 166406168
(3R)-1-(2-methoxyphenyl)-3-[(4-methoxypyrimidin-2-yl)amino]pyrrolidin-2-one
CID 125131229
(3R)-1-(2-methoxyphenyl)-3-[[(3R)-thiolan-3-yl]amino]piperidin-2-one
CID 97322605
N-[(3R)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]-3-methylbut-2-enamide
CID 97089950
2-[[(3S)-1-(2-methoxyphenyl)-2-oxopiperidin-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 99809079
5-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122054304
1-(4-bromophenyl)-3-(3-methoxyanilino)pyrrolidin-2-one
CID 122515859
1-(2-methoxyphenyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133419749
(3S)-3-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446347
(3S)-3-[[(1S,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-1-(2-methoxyphenyl)piperidin-2-one
CID 129446348

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one (CID 167951808) is 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one is COc1ccccc1N1CCCC(Nc2cccc(-n3nccn3)c2)C1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one?
The InChIKey is YIMFCPGGSFHBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-19-10-3-2-9-18(19)24-13-5-8-17(20(24)26)23-15-6-4-7-16(14-15)25-21-11-12-22-25/h2-4,6-7,9-12,14,17,23H,5,8,13H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one?
1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one has a molecular weight of 363.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(triazol-2-yl)anilino]piperidin-2-one is sourced from PubChem (CID 167951808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).