N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C23H28N4O3 — CID 25369509

IUPACN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)o1
InChIInChI=1S/C23H28N4O3/c1-3-18-8-9-19(30-18)16-26-14-11-17(12-15-26)27-22(10-13-24-27)25-23(28)20-6-4-5-7-21(20)29-2/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,25,28)
InChIKeyHTTPTDOIGDPQBM-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.14
Rot. Bonds7

About N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 25369509) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID25369509
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)o1
InChIInChI=1S/C23H28N4O3/c1-3-18-8-9-19(30-18)16-26-14-11-17(12-15-26)27-22(10-13-24-27)25-23(28)20-6-4-5-7-21(20)29-2/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,25,28)
InChIKeyHTTPTDOIGDPQBM-UHFFFAOYSA-N
XLogP4.14
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 25369509) is N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is CCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3OC)CC2)o1.
What is the InChIKey of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is HTTPTDOIGDPQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-3-18-8-9-19(30-18)16-26-14-11-17(12-15-26)27-22(10-13-24-27)25-23(28)20-6-4-5-7-21(20)29-2/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 408.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 25369509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).