2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide

C19H26N4O3 — CID 56905821

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CN3CCCC(O)C3)cn2)c1
InChIInChI=1S/C19H26N4O3/c1-21(19(25)14-22-8-4-6-17(24)13-22)11-15-10-20-23(12-15)16-5-3-7-18(9-16)26-2/h3,5,7,9-10,12,17,24H,4,6,8,11,13-14H2,1-2H3
InChIKeyPXXCEEFMURCZRM-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.30
Rot. Bonds6

About 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide

2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide (PubChem CID 56905821) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
PubChem CID56905821
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
SMILESCOc1cccc(-n2cc(CN(C)C(=O)CN3CCCC(O)C3)cn2)c1
InChIInChI=1S/C19H26N4O3/c1-21(19(25)14-22-8-4-6-17(24)13-22)11-15-10-20-23(12-15)16-5-3-7-18(9-16)26-2/h3,5,7,9-10,12,17,24H,4,6,8,11,13-14H2,1-2H3
InChIKeyPXXCEEFMURCZRM-UHFFFAOYSA-N
XLogP1.30
TPSA70.83 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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-(N-methylanilino)acetamide
CID 70732597
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 95897893
(2R)-2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 124757474
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-2-[(2R)-2-thiophen-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 26337460
(1S,5R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3-azabicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 154897157
(3R)-3-imidazol-1-yl-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylbutanamide
CID 95894294
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972335
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99973189
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 91794996
2-[(3S)-3-hydroxypiperidin-1-yl]-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 124679861

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide (CID 56905821) is 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide is COc1cccc(-n2cc(CN(C)C(=O)CN3CCCC(O)C3)cn2)c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
The InChIKey is PXXCEEFMURCZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-21(19(25)14-22-8-4-6-17(24)13-22)11-15-10-20-23(12-15)16-5-3-7-18(9-16)26-2/h3,5,7,9-10,12,17,24H,4,6,8,11,13-14H2,1-2H3.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide?
2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide has a molecular weight of 358.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 56905821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).