3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

C18H27N3O2 — CID 109018344

IUPAC3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-14(2)16-6-4-5-7-17(16)19-18(23)8-9-20-10-12-21(13-11-20)15(3)22/h4-7,14H,8-13H2,1-3H3,(H,19,23)
InChIKeySJPNNCJQUFARQD-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.30
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide

3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 109018344) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID109018344
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C18H27N3O2/c1-14(2)16-6-4-5-7-17(16)19-18(23)8-9-20-10-12-21(13-11-20)15(3)22/h4-7,14H,8-13H2,1-3H3,(H,19,23)
InChIKeySJPNNCJQUFARQD-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
3-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109027170
methyl 2-[3-(4-acetylpiperazin-1-yl)propanoylamino]benzoate
CID 109018375
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 110877789
N,N-dimethyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazine-1-carboxamide
CID 55682674
3-(4-benzylpiperazin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
CID 108949326
2-methyl-5-oxo-5-(2-propan-2-ylanilino)pentanoic acid
CID 112517159
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105696
3-amino-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 71828995
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
3-(4-methylpiperazin-1-yl)-N-[2-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]sulfanylphenyl]propanamide
CID 10697396

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 109018344) is 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N1CCN(CCC(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is SJPNNCJQUFARQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)16-6-4-5-7-17(16)19-18(23)8-9-20-10-12-21(13-11-20)15(3)22/h4-7,14H,8-13H2,1-3H3,(H,19,23).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 317.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109018344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).