4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

C14H25N3O3 — CID 63655372

IUPAC4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCN(CC(C)(C)O)CC2)CC1=O
InChIInChI=1S/C14H25N3O3/c1-14(2,20)10-16-4-6-17(7-5-16)13(19)11-8-12(18)15(3)9-11/h11,20H,4-10H2,1-3H3
InChIKeyJWBDBKCUYJXKRW-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.62
Rot. Bonds3

About 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 63655372) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID63655372
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(C(=O)N2CCN(CC(C)(C)O)CC2)CC1=O
InChIInChI=1S/C14H25N3O3/c1-14(2,20)10-16-4-6-17(7-5-16)13(19)11-8-12(18)15(3)9-11/h11,20H,4-10H2,1-3H3
InChIKeyJWBDBKCUYJXKRW-UHFFFAOYSA-N
XLogP-0.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]acetic acid
CID 43521272
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
azepan-1-yl-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]methanone
CID 110932465
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
N-(2-hydroxy-2-methylpropyl)-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 79382298
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 51937420
4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 75460850

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 63655372) is 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is CN1CC(C(=O)N2CCN(CC(C)(C)O)CC2)CC1=O.
What is the InChIKey of 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is JWBDBKCUYJXKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,20)10-16-4-6-17(7-5-16)13(19)11-8-12(18)15(3)9-11/h11,20H,4-10H2,1-3H3.
What are the key properties of 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 283.37 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 63655372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).