1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one

C19H29N3O2 — CID 109018185

IUPAC1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)17-7-5-6-15(3)19(17)20-9-8-18(24)22-12-10-21(11-13-22)16(4)23/h5-7,14,20H,8-13H2,1-4H3
InChIKeyDQKMCLANJSUCOZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.61
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one

1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one (PubChem CID 109018185) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
PubChem CID109018185
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one
SMILESCC(=O)N1CCN(C(=O)CCNc2c(C)cccc2C(C)C)CC1
InChIInChI=1S/C19H29N3O2/c1-14(2)17-7-5-6-15(3)19(17)20-9-8-18(24)22-12-10-21(11-13-22)16(4)23/h5-7,14,20H,8-13H2,1-4H3
InChIKeyDQKMCLANJSUCOZ-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
4-[3-[2,6-di(propan-2-yl)anilino]propanoyl]piperazine-1-carbaldehyde
CID 109017912
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
(2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 9276131
1-(2-methyl-6-propan-2-ylphenyl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]urea
CID 51129476
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 34425742
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 109036429
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-6-propan-2-ylanilino)ethanone
CID 109004142
3-(4-benzylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)-3-oxopropanamide
CID 108949330

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one (CID 109018185) is 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one is CC(=O)N1CCN(C(=O)CCNc2c(C)cccc2C(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one?
The InChIKey is DQKMCLANJSUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)17-7-5-6-15(3)19(17)20-9-8-18(24)22-12-10-21(11-13-22)16(4)23/h5-7,14,20H,8-13H2,1-4H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one?
1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one has a molecular weight of 331.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-3-(2-methyl-6-propan-2-ylanilino)propan-1-one is sourced from PubChem (CID 109018185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).