2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide

C23H25ClN4O2 — CID 69492041

IUPAC2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide
SMILESCn1nccc1N1CCCC(Oc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C23H25ClN4O2/c1-27-23(11-12-25-27)28-13-3-6-21(16-28)30-20-5-2-4-19(15-20)26-22(29)14-17-7-9-18(24)10-8-17/h2,4-5,7-12,15,21H,3,6,13-14,16H2,1H3,(H,26,29)
InChIKeyPVKYPMRAMBFQAK-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide

2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide (PubChem CID 69492041) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide
PubChem CID69492041
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide
SMILESCn1nccc1N1CCCC(Oc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C23H25ClN4O2/c1-27-23(11-12-25-27)28-13-3-6-21(16-28)30-20-5-2-4-19(15-20)26-22(29)14-17-7-9-18(24)10-8-17/h2,4-5,7-12,15,21H,3,6,13-14,16H2,1H3,(H,26,29)
InChIKeyPVKYPMRAMBFQAK-UHFFFAOYSA-N
XLogP4.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide (CID 69492041) is 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide is Cn1nccc1N1CCCC(Oc2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide?
The InChIKey is PVKYPMRAMBFQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-27-23(11-12-25-27)28-13-3-6-21(16-28)30-20-5-2-4-19(15-20)26-22(29)14-17-7-9-18(24)10-8-17/h2,4-5,7-12,15,21H,3,6,13-14,16H2,1H3,(H,26,29).
What are the key properties of 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide is sourced from PubChem (CID 69492041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).