N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C25H30N4O3 — CID 24791108

IUPACN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-3-32-21-10-8-19(9-11-21)18-28-16-13-20(14-17-28)29-24(12-15-26-29)27-25(30)22-6-4-5-7-23(22)31-2/h4-12,15,20H,3,13-14,16-18H2,1-2H3,(H,27,30)
InChIKeyILEJGZJMOPTASS-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.38
Rot. Bonds8

About N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 24791108) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID24791108
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C25H30N4O3/c1-3-32-21-10-8-19(9-11-21)18-28-16-13-20(14-17-28)29-24(12-15-26-29)27-25(30)22-6-4-5-7-23(22)31-2/h4-12,15,20H,3,13-14,16-18H2,1-2H3,(H,27,30)
InChIKeyILEJGZJMOPTASS-UHFFFAOYSA-N
XLogP4.38
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 24791108) is N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is CCOc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is ILEJGZJMOPTASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-3-32-21-10-8-19(9-11-21)18-28-16-13-20(14-17-28)29-24(12-15-26-29)27-25(30)22-6-4-5-7-23(22)31-2/h4-12,15,20H,3,13-14,16-18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 434.54 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 24791108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).