N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

C22H28N4O3 — CID 113129584

IUPACN-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCOc1ccc(C)cc1N(CCC(=O)N1CCN(c2ccccn2)CC1)C(C)=O
InChIInChI=1S/C22H28N4O3/c1-17-7-8-20(29-3)19(16-17)26(18(2)27)11-9-22(28)25-14-12-24(13-15-25)21-6-4-5-10-23-21/h4-8,10,16H,9,11-15H2,1-3H3
InChIKeyWXZSSCCKDXZDAV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.49
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 113129584) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID113129584
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESCOc1ccc(C)cc1N(CCC(=O)N1CCN(c2ccccn2)CC1)C(C)=O
InChIInChI=1S/C22H28N4O3/c1-17-7-8-20(29-3)19(16-17)26(18(2)27)11-9-22(28)25-14-12-24(13-15-25)21-6-4-5-10-23-21/h4-8,10,16H,9,11-15H2,1-3H3
InChIKeyWXZSSCCKDXZDAV-UHFFFAOYSA-N
XLogP2.49
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide with MolForge

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
3-(N-ethyl-2,4-dimethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55864955
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-(2-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123599
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123983
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
N-(2,5-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113124351
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
2-(5-chloro-2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767256
5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
CID 91639229

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (CID 113129584) is N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is COc1ccc(C)cc1N(CCC(=O)N1CCN(c2ccccn2)CC1)C(C)=O.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is WXZSSCCKDXZDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17-7-8-20(29-3)19(16-17)26(18(2)27)11-9-22(28)25-14-12-24(13-15-25)21-6-4-5-10-23-21/h4-8,10,16H,9,11-15H2,1-3H3.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 396.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 113129584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).