N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

C22H30N4O4 — CID 24816958

IUPACN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C22H30N4O4/c1-3-24(15-16-26-12-4-11-23-26)22(28)18-5-7-19(8-6-18)30-20-9-13-25(14-10-20)21(27)17-29-2/h4-8,11-12,20H,3,9-10,13-17H2,1-2H3
InChIKeyLCPSURPQLHIFMQ-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.06
Rot. Bonds9

About N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 24816958) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID24816958
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1
InChIInChI=1S/C22H30N4O4/c1-3-24(15-16-26-12-4-11-23-26)22(28)18-5-7-19(8-6-18)30-20-9-13-25(14-10-20)21(27)17-29-2/h4-8,11-12,20H,3,9-10,13-17H2,1-2H3
InChIKeyLCPSURPQLHIFMQ-UHFFFAOYSA-N
XLogP2.06
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 24816958) is N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is CCN(CCn1cccn1)C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1.
What is the InChIKey of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is LCPSURPQLHIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-3-24(15-16-26-12-4-11-23-26)22(28)18-5-7-19(8-6-18)30-20-9-13-25(14-10-20)21(27)17-29-2/h4-8,11-12,20H,3,9-10,13-17H2,1-2H3.
What are the key properties of N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 2.06, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 24816958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).