4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

C21H29N3O4 — CID 113182712

IUPAC4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(CC4CCCO4)C3)CC2)cc1
InChIInChI=1S/C21H29N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h4-7,16,19H,2-3,8-15H2,1H3
InChIKeyHNWVSDMXHZUYSE-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.37
Rot. Bonds5

About 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 113182712) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
PubChem CID113182712
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(CC4CCCO4)C3)CC2)cc1
InChIInChI=1S/C21H29N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h4-7,16,19H,2-3,8-15H2,1H3
InChIKeyHNWVSDMXHZUYSE-UHFFFAOYSA-N
XLogP1.37
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336973
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 55918774
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
N-(2,4-dimethoxyphenyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182761
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093431
[4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110220018
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116
1-[(4-methoxyphenyl)methyl]-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 24720670

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one (CID 113182712) is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is COc1ccc(N2CCN(C(=O)C3CC(=O)N(CC4CCCO4)C3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HNWVSDMXHZUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-27-18-6-4-17(5-7-18)22-8-10-23(11-9-22)21(26)16-13-20(25)24(14-16)15-19-3-2-12-28-19/h4-7,16,19H,2-3,8-15H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one?
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 387.48 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 113182712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).