(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C16H23N3O3 — CID 95739163

IUPAC(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C)CC2)o1
InChIInChI=1S/C16H23N3O3/c1-12-3-4-13(22-12)11-19-14(5-6-15(19)20)16(21)18-9-7-17(2)8-10-18/h3-4,14H,5-11H2,1-2H3/t14-/m1/s1
InChIKeyBLCCAORTIRQIJI-CQSZACIVSA-N
MW305.38 g/mol
LogP0.85
Rot. Bonds3

About (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 95739163) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID95739163
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C)CC2)o1
InChIInChI=1S/C16H23N3O3/c1-12-3-4-13(22-12)11-19-14(5-6-15(19)20)16(21)18-9-7-17(2)8-10-18/h3-4,14H,5-11H2,1-2H3/t14-/m1/s1
InChIKeyBLCCAORTIRQIJI-CQSZACIVSA-N
XLogP0.85
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 95739163) is (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCN(C)CC2)o1.
What is the InChIKey of (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BLCCAORTIRQIJI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-3-4-13(22-12)11-19-14(5-6-15(19)20)16(21)18-9-7-17(2)8-10-18/h3-4,14H,5-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
(5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(5-methylfuran-2-yl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 95739163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).