1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one

C27H35N3O5 — CID 23608172

IUPAC1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCOc1ccc2oc(=O)cc(CN3CCN(C(=O)C4CC(=O)N(C5CCCCC5)C4)CC3)c2c1
InChIInChI=1S/C27H35N3O5/c1-2-34-22-8-9-24-23(16-22)19(15-26(32)35-24)17-28-10-12-29(13-11-28)27(33)20-14-25(31)30(18-20)21-6-4-3-5-7-21/h8-9,15-16,20-21H,2-7,10-14,17-18H2,1H3
InChIKeyABNTUNNXERUKQT-UHFFFAOYSA-N
MW481.59 g/mol
LogP3.02
Rot. Bonds6

About 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 23608172) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID23608172
Molecular FormulaC27H35N3O5
Molecular Weight481.59 g/mol
Exact Mass481.26
IUPAC Name1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCOc1ccc2oc(=O)cc(CN3CCN(C(=O)C4CC(=O)N(C5CCCCC5)C4)CC3)c2c1
InChIInChI=1S/C27H35N3O5/c1-2-34-22-8-9-24-23(16-22)19(15-26(32)35-24)17-28-10-12-29(13-11-28)27(33)20-14-25(31)30(18-20)21-6-4-3-5-7-21/h8-9,15-16,20-21H,2-7,10-14,17-18H2,1H3
InChIKeyABNTUNNXERUKQT-UHFFFAOYSA-N
XLogP3.02
TPSA83.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438
6-ethoxy-4-[[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methyl]chromen-2-one
CID 23606560
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopropyl-4-[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 70722242
(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
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
1-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6494501
(4S)-4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 9113608
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
(4R)-1-cyclopropyl-4-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 94017125

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one (CID 23608172) is 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one is CCOc1ccc2oc(=O)cc(CN3CCN(C(=O)C4CC(=O)N(C5CCCCC5)C4)CC3)c2c1.
What is the InChIKey of 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ABNTUNNXERUKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-2-34-22-8-9-24-23(16-22)19(15-26(32)35-24)17-28-10-12-29(13-11-28)27(33)20-14-25(31)30(18-20)21-6-4-3-5-7-21/h8-9,15-16,20-21H,2-7,10-14,17-18H2,1H3.
What are the key properties of 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 481.59 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[4-[(6-ethoxy-2-oxochromen-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 23608172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).