[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

C17H21ClN4O3 — CID 154831225

IUPAC[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C17H21ClN4O3/c1-21-10-13(16(20-21)24-2)17(23)22-7-4-12(5-8-22)11-25-15-3-6-19-9-14(15)18/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3
InChIKeyXFLAUVONQDNDKX-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.41
Rot. Bonds5

About [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone

[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (PubChem CID 154831225) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
PubChem CID154831225
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
SMILESCOc1nn(C)cc1C(=O)N1CCC(COc2ccncc2Cl)CC1
InChIInChI=1S/C17H21ClN4O3/c1-21-10-13(16(20-21)24-2)17(23)22-7-4-12(5-8-22)11-25-15-3-6-19-9-14(15)18/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3
InChIKeyXFLAUVONQDNDKX-UHFFFAOYSA-N
XLogP2.41
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

[4-(imidazo[1,2-b]pyridazin-6-yloxymethyl)piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154576318
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 154831413
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940597
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
N-(5-chloro-2-pyridinyl)-1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166251824
(3-methoxy-1-methylpyrazol-4-yl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626657
[4-(chloromethyl)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105064486
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 163357321
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
2-[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799026

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone (CID 154831225) is [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is COc1nn(C)cc1C(=O)N1CCC(COc2ccncc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
The InChIKey is XFLAUVONQDNDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-21-10-13(16(20-21)24-2)17(23)22-7-4-12(5-8-22)11-25-15-3-6-19-9-14(15)18/h3,6,9-10,12H,4-5,7-8,11H2,1-2H3.
What are the key properties of [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone?
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone has a molecular weight of 364.83 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 154831225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).