3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide

C22H28N4O3 — CID 53161575

IUPAC3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
SMILESCOc1cccc(CCC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-17(24-21(27)10-9-18-6-5-7-19(16-18)29-2)22(28)26-14-12-25(13-15-26)20-8-3-4-11-23-20/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,24,27)
InChIKeyIOVPTPZRWDHGEW-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.88
Rot. Bonds7

About 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide

3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide (PubChem CID 53161575) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
PubChem CID53161575
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
SMILESCOc1cccc(CCC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-17(24-21(27)10-9-18-6-5-7-19(16-18)29-2)22(28)26-14-12-25(13-15-26)20-8-3-4-11-23-20/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,24,27)
InChIKeyIOVPTPZRWDHGEW-UHFFFAOYSA-N
XLogP1.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 53161580
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171
N-butan-2-yl-3-(3-methoxyphenyl)propanamide
CID 60707029
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-ethyl-N'-[3-(3-methoxyphenyl)propyl]-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111221054
N-[2-(3-methoxyphenyl)ethyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112895248
ethyl 4-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propanoyl]piperazine-1-carboxylate
CID 110348526
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
[3-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 118758750

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide (CID 53161575) is 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide is COc1cccc(CCC(=O)NC(C)C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
The InChIKey is IOVPTPZRWDHGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(24-21(27)10-9-18-6-5-7-19(16-18)29-2)22(28)26-14-12-25(13-15-26)20-8-3-4-11-23-20/h3-8,11,16-17H,9-10,12-15H2,1-2H3,(H,24,27).
What are the key properties of 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide?
3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 53161575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).