2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

C23H27N5O2 — CID 24819514

IUPAC2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-30-22(18-7-3-2-4-8-18)23(29)26-21-10-14-25-28(21)20-11-15-27(16-12-20)17-19-9-5-6-13-24-19/h2-10,13-14,20,22H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyKIYYHPCEZBUIGW-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.44
Rot. Bonds7

About 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide

2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 24819514) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID24819514
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-30-22(18-7-3-2-4-8-18)23(29)26-21-10-14-25-28(21)20-11-15-27(16-12-20)17-19-9-5-6-13-24-19/h2-10,13-14,20,22H,11-12,15-17H2,1H3,(H,26,29)
InChIKeyKIYYHPCEZBUIGW-UHFFFAOYSA-N
XLogP3.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide (CID 24819514) is 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is KIYYHPCEZBUIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-22(18-7-3-2-4-8-18)23(29)26-21-10-14-25-28(21)20-11-15-27(16-12-20)17-19-9-5-6-13-24-19/h2-10,13-14,20,22H,11-12,15-17H2,1H3,(H,26,29).
What are the key properties of 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide?
2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 24819514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).