N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H29N5O2 — CID 42291142

IUPACN-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCCn1cccn1)c1ccccc1OC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H29N5O2/c30-24(26-13-5-15-29-16-6-14-27-29)22-8-1-2-9-23(22)31-21-10-17-28(18-11-21)19-20-7-3-4-12-25-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15,17-19H2,(H,26,30)
InChIKeyVNUMGQRJXNAUCP-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.14
Rot. Bonds9

About N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 42291142) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID42291142
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESO=C(NCCCn1cccn1)c1ccccc1OC1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C24H29N5O2/c30-24(26-13-5-15-29-16-6-14-27-29)22-8-1-2-9-23(22)31-21-10-17-28(18-11-21)19-20-7-3-4-12-25-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15,17-19H2,(H,26,30)
InChIKeyVNUMGQRJXNAUCP-UHFFFAOYSA-N
XLogP3.14
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 42291142) is N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is O=C(NCCCn1cccn1)c1ccccc1OC1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VNUMGQRJXNAUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-24(26-13-5-15-29-16-6-14-27-29)22-8-1-2-9-23(22)31-21-10-17-28(18-11-21)19-20-7-3-4-12-25-20/h1-4,6-9,12,14,16,21H,5,10-11,13,15,17-19H2,(H,26,30).
What are the key properties of N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42291142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).