(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

C13H23N3O3 — CID 94092850

IUPAC(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-14-10-11(9-12(14)17)13(18)16-5-3-15(4-6-16)7-8-19-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyBHQKRCGSERSBCJ-LLVKDONJSA-N
MW269.34 g/mol
LogP-0.74
Rot. Bonds4

About (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one

(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 94092850) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID94092850
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1
InChIInChI=1S/C13H23N3O3/c1-14-10-11(9-12(14)17)13(18)16-5-3-15(4-6-16)7-8-19-2/h11H,3-10H2,1-2H3/t11-/m1/s1
InChIKeyBHQKRCGSERSBCJ-LLVKDONJSA-N
XLogP-0.74
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
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
4-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 63655372
4-[4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1,4-diazepane-1-carbonyl]-1-methylpyrrolidin-2-one
CID 134705172
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
4-[4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 71801329
(4R)-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 35697880
(4S)-4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-methylpyrrolidin-2-one
CID 94092803
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 119623785
1-(2-methoxyethyl)-4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 131904664
N-(2-methoxyethoxy)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 79676055

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 94092850) is (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is COCCN1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1.
What is the InChIKey of (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is BHQKRCGSERSBCJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14-10-11(9-12(14)17)13(18)16-5-3-15(4-6-16)7-8-19-2/h11H,3-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one?
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of -0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 94092850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).