[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

C21H21ClN4O2 — CID 71798822

IUPAC[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2/c1-25-19(14-18(24-25)15-6-3-2-4-7-15)21(27)26-12-9-16(10-13-26)28-20-17(22)8-5-11-23-20/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyAMCIYHBCXUGKAN-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.82
Rot. Bonds4

About [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone

[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (PubChem CID 71798822) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
PubChem CID71798822
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone
SMILESCn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2/c1-25-19(14-18(24-25)15-6-3-2-4-7-15)21(27)26-12-9-16(10-13-26)28-20-17(22)8-5-11-23-20/h2-8,11,14,16H,9-10,12-13H2,1H3
InChIKeyAMCIYHBCXUGKAN-UHFFFAOYSA-N
XLogP3.82
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The IUPAC name of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone (CID 71798822) is [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The canonical SMILES for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
The InChIKey is AMCIYHBCXUGKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-25-19(14-18(24-25)15-6-3-2-4-7-15)21(27)26-12-9-16(10-13-26)28-20-17(22)8-5-11-23-20/h2-8,11,14,16H,9-10,12-13H2,1H3.
What are the key properties of [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone?
[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone has a molecular weight of 396.88 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-(1-methyl-3-phenylpyrazol-5-yl)methanone is sourced from PubChem (CID 71798822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).