N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide

C20H29N3O4 — CID 113129834

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-15(2)27-19-7-5-18(6-8-19)23(17(4)25)10-9-20(26)22-13-11-21(12-14-22)16(3)24/h5-8,15H,9-14H2,1-4H3
InChIKeyFJJYGDIGHIYLIS-UHFFFAOYSA-N
MW375.47 g/mol
LogP1.91
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 113129834) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID113129834
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C20H29N3O4/c1-15(2)27-19-7-5-18(6-8-19)23(17(4)25)10-9-20(26)22-13-11-21(12-14-22)16(3)24/h5-8,15H,9-14H2,1-4H3
InChIKeyFJJYGDIGHIYLIS-UHFFFAOYSA-N
XLogP1.91
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-cyanophenyl)acetamide
CID 113135032
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129882
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(3-methylbutyl)propanamide
CID 113129869
N-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113129931
N-(4-acetylphenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113130796
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide (CID 113129834) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide is CC(=O)N1CCN(C(=O)CCN(C(C)=O)c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is FJJYGDIGHIYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-15(2)27-19-7-5-18(6-8-19)23(17(4)25)10-9-20(26)22-13-11-21(12-14-22)16(3)24/h5-8,15H,9-14H2,1-4H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113129834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).