N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide

C24H29N3O4 — CID 9169702

IUPACN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyPOPNGLHPEKTRJY-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.75
Rot. Bonds8

About N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 9169702) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID9169702
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29)
InChIKeyPOPNGLHPEKTRJY-UHFFFAOYSA-N
XLogP2.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
Ncgc607
CID 46943210
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
JW 55
CID 2946601
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(4-phenoxyphenyl)formamido]propanamide
CID 23648337
N-(4-(((4-(4-Methoxyphenyl)oxan-4-Yl)methyl)carbamoyl)phenyl)-5-Methylfuran-2-Carboxamide
CID 71622125
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
(4-Methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 722098
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide (CID 9169702) is N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide is CCC(=O)c1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is POPNGLHPEKTRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-22(28)19-6-10-21(11-7-19)31-17-24(30)27-14-12-26(13-15-27)16-23(29)25-20-8-4-18(2)5-9-20/h4-11H,3,12-17H2,1-2H3,(H,25,29).
What are the key properties of N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 423.51 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9169702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).