1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one

C18H21N5O — CID 166308659

IUPAC1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one
SMILESCn1nnc2cc(CN3CCC(n4ccccc4=O)CC3)ccc21
InChIInChI=1S/C18H21N5O/c1-21-17-6-5-14(12-16(17)19-20-21)13-22-10-7-15(8-11-22)23-9-3-2-4-18(23)24/h2-6,9,12,15H,7-8,10-11,13H2,1H3
InChIKeyOPUHEGAGQXXCBE-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.97
Rot. Bonds3

About 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one

1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one (PubChem CID 166308659) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one
PubChem CID166308659
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one
SMILESCn1nnc2cc(CN3CCC(n4ccccc4=O)CC3)ccc21
InChIInChI=1S/C18H21N5O/c1-21-17-6-5-14(12-16(17)19-20-21)13-22-10-7-15(8-11-22)23-9-3-2-4-18(23)24/h2-6,9,12,15H,7-8,10-11,13H2,1H3
InChIKeyOPUHEGAGQXXCBE-UHFFFAOYSA-N
XLogP1.97
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 167870571
(3S,4R)-1-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770389
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylbenzotriazole;2,2,2-trifluoroacetic acid
CID 171686954
4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120909731
5-ethyl-1-methylbenzotriazole
CID 20678691
1-[(1-methylbenzotriazol-5-yl)methyl]-2,2-dioxo-2λ6,1-benzothiazin-4-one
CID 167811483
2-[3-hydroxy-1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-3-yl]acetamide
CID 154746567
(3aR,6aS)-3-[1-(2-ethoxypropanoyl)pyrrolidin-3-yl]-5-[(1-methylbenzotriazol-5-yl)methyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 167919210
1-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid
CID 24970301
1-[1-[(3,4-diethoxyphenyl)methyl]piperidin-4-yl]benzotriazole-5-carboxylic acid
CID 25070317
1-methyl-5-(2-methylpropyl)benzotriazole
CID 59731307
(2R,3R,4S)-2-(hydroxymethyl)-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 44568628

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one (CID 166308659) is 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one is Cn1nnc2cc(CN3CCC(n4ccccc4=O)CC3)ccc21.
What is the InChIKey of 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one?
The InChIKey is OPUHEGAGQXXCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-17-6-5-14(12-16(17)19-20-21)13-22-10-7-15(8-11-22)23-9-3-2-4-18(23)24/h2-6,9,12,15H,7-8,10-11,13H2,1H3.
What are the key properties of 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one?
1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 166308659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).