3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide

C21H26N4O2 — CID 120730434

IUPAC3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-4-6-17(7-5-16)8-9-20(26)24-15-21(27)25-12-11-23-14-19(25)18-3-2-10-22-13-18/h2-7,10,13,19,23H,8-9,11-12,14-15H2,1H3,(H,24,26)
InChIKeyOOMORPPWUDYHBT-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.61
Rot. Bonds6

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

3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide (PubChem CID 120730434) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
PubChem CID120730434
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C21H26N4O2/c1-16-4-6-17(7-5-16)8-9-20(26)24-15-21(27)25-12-11-23-14-19(25)18-3-2-10-22-13-18/h2-7,10,13,19,23H,8-9,11-12,14-15H2,1H3,(H,24,26)
InChIKeyOOMORPPWUDYHBT-UHFFFAOYSA-N
XLogP1.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 120802548
3-(4-chlorophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732059
3-(4-bromophenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730560
N-methyl-4-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide;hydrochloride
CID 120729176
3-(4-methylphenyl)sulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120731732
4-methyl-N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]benzenesulfonamide
CID 120731688
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
1-(4-propylphenyl)-4-(2-pyridin-3-ylpiperazin-1-yl)butane-1,4-dione
CID 120732195
3-naphthalen-2-yl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732001
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide (CID 120730434) is 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide is Cc1ccc(CCC(=O)NCC(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is OOMORPPWUDYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-4-6-17(7-5-16)8-9-20(26)24-15-21(27)25-12-11-23-14-19(25)18-3-2-10-22-13-18/h2-7,10,13,19,23H,8-9,11-12,14-15H2,1H3,(H,24,26).
What are the key properties of 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide?
3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 366.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 120730434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).