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

C22H30N4O4 — CID 24790595

IUPACN-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H30N4O4/c1-28-18-7-6-16(20(29-2)21(18)30-3)14-25-12-9-17(10-13-25)26-19(8-11-23-26)24-22(27)15-4-5-15/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3,(H,24,27)
InChIKeyPDRDUXRRNADGFP-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.09
Rot. Bonds8

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

N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24790595) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24790595
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC
InChIInChI=1S/C22H30N4O4/c1-28-18-7-6-16(20(29-2)21(18)30-3)14-25-12-9-17(10-13-25)26-19(8-11-23-26)24-22(27)15-4-5-15/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3,(H,24,27)
InChIKeyPDRDUXRRNADGFP-UHFFFAOYSA-N
XLogP3.09
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.09
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-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24790595) is N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is COc1ccc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)c(OC)c1OC.
What is the InChIKey of N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is PDRDUXRRNADGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-28-18-7-6-16(20(29-2)21(18)30-3)14-25-12-9-17(10-13-25)26-19(8-11-23-26)24-22(27)15-4-5-15/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.09, 8 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-trimethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24790595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).