5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C18H23N3O3 — CID 110741036

IUPAC5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C3CCOc4ccccc43)CC2)N1
InChIInChI=1S/C18H23N3O3/c22-17-6-5-14(19-17)18(23)21-10-8-20(9-11-21)15-7-12-24-16-4-2-1-3-13(15)16/h1-4,14-15H,5-12H2,(H,19,22)
InChIKeyFAMLVYYTCQWDIZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.93
Rot. Bonds2

About 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110741036) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110741036
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(C3CCOc4ccccc43)CC2)N1
InChIInChI=1S/C18H23N3O3/c22-17-6-5-14(19-17)18(23)21-10-8-20(9-11-21)15-7-12-24-16-4-2-1-3-13(15)16/h1-4,14-15H,5-12H2,(H,19,22)
InChIKeyFAMLVYYTCQWDIZ-UHFFFAOYSA-N
XLogP0.93
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carboxylate
CID 110400066
[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110400062
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053726
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
5-(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carbonyl)pyrrolidin-2-one
CID 90565518
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110400059
(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 114039581
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
1-[4-(3,4-dihydro-2H-chromen-4-yl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110400041
5-[4-(3,4-dihydro-2H-chromene-6-carbonyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816231
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053707
5-[4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053735

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 110741036) is 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(C3CCOc4ccccc43)CC2)N1.
What is the InChIKey of 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FAMLVYYTCQWDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-17-6-5-14(19-17)18(23)21-10-8-20(9-11-21)15-7-12-24-16-4-2-1-3-13(15)16/h1-4,14-15H,5-12H2,(H,19,22).
What are the key properties of 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dihydro-2H-chromen-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110741036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).