4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

C22H29N3O3 — CID 24817524

IUPAC4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCC(C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C22H29N3O3/c1-17(16-27-2)25-13-10-21(11-14-25)28-20-8-6-18(7-9-20)22(26)24-15-19-5-3-4-12-23-19/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H,24,26)
InChIKeySHNKHWJPJPVARN-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.89
Rot. Bonds8

About 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24817524) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24817524
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOCC(C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1
InChIInChI=1S/C22H29N3O3/c1-17(16-27-2)25-13-10-21(11-14-25)28-20-8-6-18(7-9-20)22(26)24-15-19-5-3-4-12-23-19/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H,24,26)
InChIKeySHNKHWJPJPVARN-UHFFFAOYSA-N
XLogP2.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24817524) is 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is COCC(C)N1CCC(Oc2ccc(C(=O)NCc3ccccn3)cc2)CC1.
What is the InChIKey of 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is SHNKHWJPJPVARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17(16-27-2)25-13-10-21(11-14-25)28-20-8-6-18(7-9-20)22(26)24-15-19-5-3-4-12-23-19/h3-9,12,17,21H,10-11,13-16H2,1-2H3,(H,24,26).
What are the key properties of 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide?
4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methoxypropan-2-yl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24817524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).