4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

C21H28N4O4 — CID 24817432

IUPAC4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3cn[nH]c3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-28-13-9-20(26)25-11-7-19(8-12-25)29-18-4-2-17(3-5-18)21(27)22-10-6-16-14-23-24-15-16/h2-5,14-15,19H,6-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyDHYHKTRLOOFTIT-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.79
Rot. Bonds9

About 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 24817432) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID24817432
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3cn[nH]c3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-28-13-9-20(26)25-11-7-19(8-12-25)29-18-4-2-17(3-5-18)21(27)22-10-6-16-14-23-24-15-16/h2-5,14-15,19H,6-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyDHYHKTRLOOFTIT-UHFFFAOYSA-N
XLogP1.79
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide (CID 24817432) is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCc3cn[nH]c3)cc2)CC1.
What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is DHYHKTRLOOFTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-28-13-9-20(26)25-11-7-19(8-12-25)29-18-4-2-17(3-5-18)21(27)22-10-6-16-14-23-24-15-16/h2-5,14-15,19H,6-13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide?
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 24817432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).