N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H29N5O2 — CID 24791409

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1
InChIInChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30)
InChIKeyVZWGTIKXYXBGIA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.27
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791409) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24791409
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1
InChIInChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30)
InChIKeyVZWGTIKXYXBGIA-UHFFFAOYSA-N
XLogP3.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24791409) is N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VZWGTIKXYXBGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).