N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide

C22H27N3O3 — CID 113133616

IUPACN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-18(26)25(13-12-22(27)24-16-14-23(2)15-17-24)20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3
InChIKeyLZIODMVQVPNTMR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.00
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide (PubChem CID 113133616) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
PubChem CID113133616
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H27N3O3/c1-18(26)25(13-12-22(27)24-16-14-23(2)15-17-24)20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3
InChIKeyLZIODMVQVPNTMR-UHFFFAOYSA-N
XLogP3.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113130317
N-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113129221
N-(2-ethoxyphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113129229
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-(2-fluorophenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126692
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960
N-(2-phenoxyphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 18407202
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113127019

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide (CID 113133616) is N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is LZIODMVQVPNTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-18(26)25(13-12-22(27)24-16-14-23(2)15-17-24)20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11H,12-17H2,1-2H3.
What are the key properties of N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide?
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 113133616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).