2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide

C27H34N4O4 — CID 75528321

IUPAC2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1OCC
InChIInChI=1S/C27H34N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyGBPZIMZSZFGECT-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.21
Rot. Bonds10

About 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide

2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide (PubChem CID 75528321) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
PubChem CID75528321
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC Name2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1OCC
InChIInChI=1S/C27H34N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,32)(H,29,30)
InChIKeyGBPZIMZSZFGECT-UHFFFAOYSA-N
XLogP4.21
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-diethoxyphenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741584
2-(4-ethoxyphenyl)-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528428
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
CID 91904760
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperidin-4-yl]acetamide
CID 134098984
5-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 75528314
2-(4-ethoxyphenyl)-1-[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]ethanone
CID 75528117
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide
CID 91904764
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide (CID 75528321) is 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(c3cc(-c4ccc(OC)cc4)[nH]n3)CC2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
The InChIKey is GBPZIMZSZFGECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-4-34-24-11-6-19(16-25(24)35-5-2)17-27(32)28-21-12-14-31(15-13-21)26-18-23(29-30-26)20-7-9-22(33-3)10-8-20/h6-11,16,18,21H,4-5,12-15,17H2,1-3H3,(H,28,32)(H,29,30).
What are the key properties of 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide?
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 4.21, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 75528321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).