N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C22H28N4O5 — CID 24816664

IUPACN-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H28N4O5/c1-29-17-7-6-16(19(30-2)20(17)31-3)22(28)25-12-9-15(10-13-25)26-18(8-11-23-26)24-21(27)14-4-5-14/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyXIMZJFNCYZDEBJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24816664) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24816664
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC NameN-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H28N4O5/c1-29-17-7-6-16(19(30-2)20(17)31-3)22(28)25-12-9-15(10-13-25)26-18(8-11-23-26)24-21(27)14-4-5-14/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3,(H,24,27)
InChIKeyXIMZJFNCYZDEBJ-UHFFFAOYSA-N
XLogP2.73
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24816664) is N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc(C(=O)N2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC.
What is the InChIKey of N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is XIMZJFNCYZDEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-29-17-7-6-16(19(30-2)20(17)31-3)22(28)25-12-9-15(10-13-25)26-18(8-11-23-26)24-21(27)14-4-5-14/h6-8,11,14-15H,4-5,9-10,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 428.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,3,4-trimethoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24816664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).