1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone

C19H26N4O3 — CID 70747389

IUPAC1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-22-16(20-21-17(22)13-24)12-14-8-10-23(11-9-14)19(25)18(26-2)15-6-4-3-5-7-15/h3-7,14,18,24H,8-13H2,1-2H3
InChIKeyZRHWJRCGRRRWPE-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.48
Rot. Bonds6

About 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone

1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 70747389) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID70747389
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCOC(C(=O)N1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1
InChIInChI=1S/C19H26N4O3/c1-22-16(20-21-17(22)13-24)12-14-8-10-23(11-9-14)19(25)18(26-2)15-6-4-3-5-7-15/h3-7,14,18,24H,8-13H2,1-2H3
InChIKeyZRHWJRCGRRRWPE-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-[4-(2-methoxyethoxy)piperidin-1-yl]-2-phenylethanone
CID 90653649
1-[4-(hydroxymethyl)piperidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylethanone
CID 109380455
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxy-2-phenylethanone
CID 63310259
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
(2S)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 46215195
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
ethyl (2R)-2-[[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidine-1-carbonyl]amino]propanoate
CID 95147343
(2R)-2-(4-hydroxyphenyl)-2-methoxy-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 99784449

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone (CID 70747389) is 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone is COC(C(=O)N1CCC(Cc2nnc(CO)n2C)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is ZRHWJRCGRRRWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-22-16(20-21-17(22)13-24)12-14-8-10-23(11-9-14)19(25)18(26-2)15-6-4-3-5-7-15/h3-7,14,18,24H,8-13H2,1-2H3.
What are the key properties of 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone?
1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 358.44 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 70747389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).