N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide

C25H31N3O3 — CID 46046855

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-6-19(2)16-22)23-10-8-21(9-11-23)17-25(31)27-14-12-26(13-15-27)20(3)29/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyFJTAWLGCSOVROX-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.17
Rot. Bonds6

About N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 46046855) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
PubChem CID46046855
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-6-19(2)16-22)23-10-8-21(9-11-23)17-25(31)27-14-12-26(13-15-27)20(3)29/h5-11,16H,4,12-15,17-18H2,1-3H3
InChIKeyFJTAWLGCSOVROX-UHFFFAOYSA-N
XLogP3.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46046700
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
CID 46046531
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
CID 46046597
ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046884
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046849
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide (CID 46046855) is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide is CCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is FJTAWLGCSOVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-6-19(2)16-22)23-10-8-21(9-11-23)17-25(31)27-14-12-26(13-15-27)20(3)29/h5-11,16H,4,12-15,17-18H2,1-3H3.
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide?
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 421.54 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46046855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).