N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C22H29N5O4 — CID 8546656

IUPACN-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2CCN(c3ccccn3)CC2)cc1OCC
InChIInChI=1S/C22H29N5O4/c1-3-30-18-9-8-17(15-19(18)31-4-2)24-22(29)25-21(28)16-26-11-13-27(14-12-26)20-7-5-6-10-23-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H2,24,25,28,29)
InChIKeyUFNOKUFQMOIZIA-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.35
Rot. Bonds8

About N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 8546656) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID8546656
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC NameN-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCOc1ccc(NC(=O)NC(=O)CN2CCN(c3ccccn3)CC2)cc1OCC
InChIInChI=1S/C22H29N5O4/c1-3-30-18-9-8-17(15-19(18)31-4-2)24-22(29)25-21(28)16-26-11-13-27(14-12-26)20-7-5-6-10-23-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H2,24,25,28,29)
InChIKeyUFNOKUFQMOIZIA-UHFFFAOYSA-N
XLogP2.35
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
2-(4-benzoylpiperazin-1-yl)-N-(3,4-diethoxyphenyl)acetamide
CID 9223268
N-(prop-2-enylcarbamoyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 7998646
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730
N-(3-methylsulfonylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8618487
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 8546656) is N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCOc1ccc(NC(=O)NC(=O)CN2CCN(c3ccccn3)CC2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is UFNOKUFQMOIZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-30-18-9-8-17(15-19(18)31-4-2)24-22(29)25-21(28)16-26-11-13-27(14-12-26)20-7-5-6-10-23-20/h5-10,15H,3-4,11-14,16H2,1-2H3,(H2,24,25,28,29).
What are the key properties of N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 427.51 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)carbamoyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8546656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).