N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride

C19H28ClN5O2 — CID 162331842

IUPACN-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(CN2CCCC(COc3cc(C)nc(C)c3)C2)[nH]n1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13-7-18(8-14(2)20-13)26-12-16-5-4-6-24(10-16)11-17-9-19(23-22-17)21-15(3)25;/h7-9,16H,4-6,10-12H2,1-3H3,(H2,21,22,23,25);1H
InChIKeyQYRRWUNXYNSINH-UHFFFAOYSA-N
MW393.92 g/mol
LogP3.09
Rot. Bonds6

About N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride

N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride (PubChem CID 162331842) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
PubChem CID162331842
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC NameN-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(CN2CCCC(COc3cc(C)nc(C)c3)C2)[nH]n1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13-7-18(8-14(2)20-13)26-12-16-5-4-6-24(10-16)11-17-9-19(23-22-17)21-15(3)25;/h7-9,16H,4-6,10-12H2,1-3H3,(H2,21,22,23,25);1H
InChIKeyQYRRWUNXYNSINH-UHFFFAOYSA-N
XLogP3.09
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride with MolForge

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Related Compounds

N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
CID 135135294
N-[5-[1-[3-[[(2,6-dimethyl-4-pyridinyl)amino]methyl]piperidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 146287845
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 160933841
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871
2-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95126453
N-[5-[1-[(3S)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-1H-pyrazol-3-yl]acetamide
CID 162468301
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
1-benzyl-N-(5-ethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 48508171
N-[[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 82888686
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
3-methoxy-1-[(3-propyl-1H-pyrazol-5-yl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 154888424

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride (CID 162331842) is N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride is CC(=O)Nc1cc(CN2CCCC(COc3cc(C)nc(C)c3)C2)[nH]n1.Cl.
What is the InChIKey of N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride?
The InChIKey is QYRRWUNXYNSINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-13-7-18(8-14(2)20-13)26-12-16-5-4-6-24(10-16)11-17-9-19(23-22-17)21-15(3)25;/h7-9,16H,4-6,10-12H2,1-3H3,(H2,21,22,23,25);1H.
What are the key properties of N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride?
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 162331842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).