N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C21H28N4O3 — CID 24793893

IUPACN-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCCOc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1O
InChIInChI=1S/C21H28N4O3/c1-2-28-19-13-15(3-6-18(19)26)14-24-11-8-17(9-12-24)25-20(7-10-22-25)23-21(27)16-4-5-16/h3,6-7,10,13,16-17,26H,2,4-5,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyUIWJNTVYRNDXPE-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.17
Rot. Bonds7

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

N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 24793893) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID24793893
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCCOc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1O
InChIInChI=1S/C21H28N4O3/c1-2-28-19-13-15(3-6-18(19)26)14-24-11-8-17(9-12-24)25-20(7-10-22-25)23-21(27)16-4-5-16/h3,6-7,10,13,16-17,26H,2,4-5,8-9,11-12,14H2,1H3,(H,23,27)
InChIKeyUIWJNTVYRNDXPE-UHFFFAOYSA-N
XLogP3.17
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 24793893) is N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CCOc1cc(CN2CCC(n3nccc3NC(=O)C3CC3)CC2)ccc1O.
What is the InChIKey of N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is UIWJNTVYRNDXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-28-19-13-15(3-6-18(19)26)14-24-11-8-17(9-12-24)25-20(7-10-22-25)23-21(27)16-4-5-16/h3,6-7,10,13,16-17,26H,2,4-5,8-9,11-12,14H2,1H3,(H,23,27).
What are the key properties of N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 24793893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).