N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide

C23H29N3O3 — CID 113123983

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18-8-10-20(11-9-18)26(19(2)27)13-12-23(28)25-16-14-24(15-17-25)21-6-4-5-7-22(21)29-3/h4-11H,12-17H2,1-3H3
InChIKeyMMYVERXIBRDWTE-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.10
Rot. Bonds6

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide (PubChem CID 113123983) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
PubChem CID113123983
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccccc1N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H29N3O3/c1-18-8-10-20(11-9-18)26(19(2)27)13-12-23(28)25-16-14-24(15-17-25)21-6-4-5-7-22(21)29-3/h4-11H,12-17H2,1-3H3
InChIKeyMMYVERXIBRDWTE-UHFFFAOYSA-N
XLogP3.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126692
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115973
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 2884049
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(4-methylphenyl)methylsulfanyl]ethanone
CID 1208587
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-propan-2-ylmethanesulfonamide
CID 113136108
N-ethyl-4-(2-methoxyphenyl)-N-phenylpiperazine-1-carboxamide
CID 108990100
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167717
3-(2,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 27665246
N-(2-methoxyphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 21213825

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide (CID 113123983) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide is COc1ccccc1N1CCN(C(=O)CCN(C(C)=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide?
The InChIKey is MMYVERXIBRDWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-8-10-20(11-9-18)26(19(2)27)13-12-23(28)25-16-14-24(15-17-25)21-6-4-5-7-22(21)29-3/h4-11H,12-17H2,1-3H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 113123983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).