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

C25H31N3O3 — CID 46046700

IUPACN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-19(2)6-8-22)23-11-9-21(10-12-23)17-25(31)27-15-13-26(14-16-27)20(3)29/h5-12H,4,13-18H2,1-3H3
InChIKeyQLBNBILVVBPKTD-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.17
Rot. Bonds6

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

N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 46046700) 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-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID46046700
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccc(C)cc1)c1ccc(CC(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-19(2)6-8-22)23-11-9-21(10-12-23)17-25(31)27-15-13-26(14-16-27)20(3)29/h5-12H,4,13-18H2,1-3H3
InChIKeyQLBNBILVVBPKTD-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]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
N,N-dimethyl-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110365768
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
CID 46046531
ethyl (3S)-1-[2-[4-[benzyl(propanoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93329378
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-[(4-methylphenyl)methyl]-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]phenyl]propanamide
CID 46052427
ethyl 4-[2-(N-acetyl-4-methylanilino)acetyl]piperazine-1-carboxylate
CID 113167712
N-benzyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 55682732
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 43416163
1-[4-[2-(methylamino)acetyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 119767898

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide (CID 46046700) is N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide is CCC(=O)N(Cc1ccc(C)cc1)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-[(4-methylphenyl)methyl]propanamide?
The InChIKey is QLBNBILVVBPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-4-24(30)28(18-22-7-5-19(2)6-8-22)23-11-9-21(10-12-23)17-25(31)27-15-13-26(14-16-27)20(3)29/h5-12H,4,13-18H2,1-3H3.
What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]propanamide?
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(4-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-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46046700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).