1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one

C16H27N3O3 — CID 108535451

IUPAC1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-5-13(20)17-6-8-18(9-7-17)15(22)12-10-14(21)19(11-12)16(2,3)4/h12H,5-11H2,1-4H3
InChIKeyCUSIKQXNZRTOMU-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.71
Rot. Bonds2

About 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one

1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108535451) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108535451
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1
InChIInChI=1S/C16H27N3O3/c1-5-13(20)17-6-8-18(9-7-17)15(22)12-10-14(21)19(11-12)16(2,3)4/h12H,5-11H2,1-4H3
InChIKeyCUSIKQXNZRTOMU-UHFFFAOYSA-N
XLogP0.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535462
1-tert-butyl-4-[4-(2-methoxyacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546277
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108532932
1-tert-butyl-4-[4-(2-ethylbutanoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546262
N-[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 108556090
1-tert-butyl-4-(4-butylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108568533
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543215
1-tert-butyl-4-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 108535415
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-cyclohexyl-N-ethylpiperidine-4-carboxamide
CID 17118971
4-[4-(3-bromobenzoyl)piperazine-1-carbonyl]-1-tert-butylpyrrolidin-2-one
CID 108534461
(4R)-1-tert-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8549380
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108535451) is 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one is CCC(=O)N1CCN(C(=O)C2CC(=O)N(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CUSIKQXNZRTOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-5-13(20)17-6-8-18(9-7-17)15(22)12-10-14(21)19(11-12)16(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 309.41 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(4-propanoylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108535451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).