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

C23H33N3O3 — CID 113185530

IUPAC1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-29-21-10-8-19(9-11-21)24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-6-4-2-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3
InChIKeyAHEYTJIHPYNDPX-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.92
Rot. Bonds4

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

1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 113185530) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID113185530
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-29-21-10-8-19(9-11-21)24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-6-4-2-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3
InChIKeyAHEYTJIHPYNDPX-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(4S)-1-cyclohexyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7345959
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 48873833
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-(oxolan-2-ylmethyl)pyrrolidin-2-one
CID 113182712
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
CID 110682116

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 113185530) is 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is COc1ccc(N2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)cc1.
What is the InChIKey of 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AHEYTJIHPYNDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-29-21-10-8-19(9-11-21)24-12-14-25(15-13-24)23(28)18-16-22(27)26(17-18)20-6-4-2-3-5-7-20/h8-11,18,20H,2-7,12-17H2,1H3.
What are the key properties of 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 113185530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).