(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one

C14H17ClN4O2 — CID 84589800

IUPAC(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)N1
InChIInChI=1S/C14H17ClN4O2/c15-10-9-16-4-3-12(10)18-5-7-19(8-6-18)14(21)11-1-2-13(20)17-11/h3-4,9,11H,1-2,5-8H2,(H,17,20)/t11-/m1/s1
InChIKeyXFMXWNRHMJXMLM-LLVKDONJSA-N
MW308.77 g/mol
LogP0.66
Rot. Bonds2

About (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 84589800) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID84589800
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)N1
InChIInChI=1S/C14H17ClN4O2/c15-10-9-16-4-3-12(10)18-5-7-19(8-6-18)14(21)11-1-2-13(20)17-11/h3-4,9,11H,1-2,5-8H2,(H,17,20)/t11-/m1/s1
InChIKeyXFMXWNRHMJXMLM-LLVKDONJSA-N
XLogP0.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 84589800) is (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCN(c3ccncc3Cl)CC2)N1.
What is the InChIKey of (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XFMXWNRHMJXMLM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c15-10-9-16-4-3-12(10)18-5-7-19(8-6-18)14(21)11-1-2-13(20)17-11/h3-4,9,11H,1-2,5-8H2,(H,17,20)/t11-/m1/s1.
What are the key properties of (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 308.77 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(3-chloro-4-pyridinyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 84589800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).