2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

C21H33N3O2 — CID 24664257

IUPAC2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)CC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C21H33N3O2/c1-15(2)14-20(25)24-12-10-23(11-13-24)17(5)21(26)22-19-9-7-6-8-18(19)16(3)4/h6-9,15-17H,10-14H2,1-5H3,(H,22,26)
InChIKeyQVFMPWZXMBUSRW-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.33
Rot. Bonds6

About 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 24664257) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID24664257
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)CC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C(C)C)CC1
InChIInChI=1S/C21H33N3O2/c1-15(2)14-20(25)24-12-10-23(11-13-24)17(5)21(26)22-19-9-7-6-8-18(19)16(3)4/h6-9,15-17H,10-14H2,1-5H3,(H,22,26)
InChIKeyQVFMPWZXMBUSRW-UHFFFAOYSA-N
XLogP3.33
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
N-(2-butan-2-ylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55364692
2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-N-phenylpropanamide
CID 91340917
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 55430579
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 46663177
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (CID 24664257) is 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is CC(C)CC(=O)N1CCN(C(C)C(=O)Nc2ccccc2C(C)C)CC1.
What is the InChIKey of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is QVFMPWZXMBUSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15(2)14-20(25)24-12-10-23(11-13-24)17(5)21(26)22-19-9-7-6-8-18(19)16(3)4/h6-9,15-17H,10-14H2,1-5H3,(H,22,26).
What are the key properties of 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 359.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24664257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).