1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one

C19H29N3O3 — CID 130361247

IUPAC1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1C(C)(C)CC(C)(C)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-14-7-8-16(24)22(14)19(5,6)13-18(3,4)17(25)21-11-9-20(10-12-21)15(2)23/h7-8H,1,9-13H2,2-6H3
InChIKeyLDTUQSBRJIJZOP-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.78
Rot. Bonds4

About 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one

1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one (PubChem CID 130361247) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one
PubChem CID130361247
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1C(C)(C)CC(C)(C)C(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-14-7-8-16(24)22(14)19(5,6)13-18(3,4)17(25)21-11-9-20(10-12-21)15(2)23/h7-8H,1,9-13H2,2-6H3
InChIKeyLDTUQSBRJIJZOP-UHFFFAOYSA-N
XLogP1.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one with MolForge

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Related Compounds

1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
1-[4-[1-(4-tert-butylphenyl)ethenyl]piperazin-1-yl]ethanone
CID 159764673
1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429771
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
N-(2,2-dimethylpropyl)-3-[4-[2-(2,5-dioxopyrrol-1-yl)acetyl]piperazin-1-yl]-3-oxopropanamide;N-(2,2-dimethylpropyl)-2-(2-methylidene-5-oxopyrrol-1-yl)acetamide;methane
CID 161295560
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
1-(2,2-dimethylpropyl)-5-methylidenepyrrol-2-one
CID 167684364
1-[3-[(3R)-3-tert-butylpyrrolidin-1-yl]-3-oxopropyl]-5-methylidenepyrrol-2-one
CID 134402025
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 119293260

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one?
The IUPAC name of 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one (CID 130361247) is 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1C(C)(C)CC(C)(C)C(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one?
The InChIKey is LDTUQSBRJIJZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14-7-8-16(24)22(14)19(5,6)13-18(3,4)17(25)21-11-9-20(10-12-21)15(2)23/h7-8H,1,9-13H2,2-6H3.
What are the key properties of 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one?
1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one has a molecular weight of 347.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-acetylpiperazin-1-yl)-2,4,4-trimethyl-5-oxopentan-2-yl]-5-methylidenepyrrol-2-one is sourced from PubChem (CID 130361247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).