4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

C20H29N3O2 — CID 110629361

IUPAC4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCC(C)(C)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)15-21-9-11-22(12-10-21)19(25)16-13-18(24)23(14-16)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyWNVDJKMZWPAARH-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.23
Rot. Bonds3

About 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 110629361) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID110629361
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESCC(C)(C)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)15-21-9-11-22(12-10-21)19(25)16-13-18(24)23(14-16)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3
InChIKeyWNVDJKMZWPAARH-UHFFFAOYSA-N
XLogP2.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
4-[3-(4-ethylpiperazin-1-yl)azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126891892
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17082154
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513
4-(4-ethylpiperazine-1-carbonyl)-1-pyridin-3-ylpyrrolidin-2-one
CID 110684478
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 110629361) is 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is CC(C)(C)CN1CCN(C(=O)C2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is WNVDJKMZWPAARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2,3)15-21-9-11-22(12-10-21)19(25)16-13-18(24)23(14-16)17-7-5-4-6-8-17/h4-8,16H,9-15H2,1-3H3.
What are the key properties of 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).