3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide

C21H25N3O2 — CID 51251955

IUPAC3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-7-6-10-18(13-16)21(26)22-14-20(25)24-12-11-23(2)15-19(24)17-8-4-3-5-9-17/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)
InChIKeyOVMDTAJDZDEXJQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.24
Rot. Bonds4

About 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide

3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 51251955) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID51251955
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)N2CCN(C)CC2c2ccccc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-7-6-10-18(13-16)21(26)22-14-20(25)24-12-11-23(2)15-19(24)17-8-4-3-5-9-17/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26)
InChIKeyOVMDTAJDZDEXJQ-UHFFFAOYSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
N-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 51925999
N-[(2R)-4-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 124816393
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
2-(2-chloroanilino)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55437702
2-(3-acetylphenoxy)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 55394267
3-methyl-N-phenacylbenzamide
CID 3417494
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
N-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 94819223
N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 94819222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 51251955) is 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide is Cc1cccc(C(=O)NCC(=O)N2CCN(C)CC2c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is OVMDTAJDZDEXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-7-6-10-18(13-16)21(26)22-14-20(25)24-12-11-23(2)15-19(24)17-8-4-3-5-9-17/h3-10,13,19H,11-12,14-15H2,1-2H3,(H,22,26).
What are the key properties of 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide?
3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methyl-2-phenylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 51251955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).