4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one

C19H25ClN4O2 — CID 70729979

IUPAC4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN4O2/c20-15-5-6-17(21-12-15)22-7-9-23(10-8-22)19(26)14-11-18(25)24(13-14)16-3-1-2-4-16/h5-6,12,14,16H,1-4,7-11,13H2
InChIKeyAWAIIQLVIWJZST-UHFFFAOYSA-N
MW376.89 g/mol
LogP2.17
Rot. Bonds3

About 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one

4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one (PubChem CID 70729979) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
PubChem CID70729979
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H25ClN4O2/c20-15-5-6-17(21-12-15)22-7-9-23(10-8-22)19(26)14-11-18(25)24(13-14)16-3-1-2-4-16/h5-6,12,14,16H,1-4,7-11,13H2
InChIKeyAWAIIQLVIWJZST-UHFFFAOYSA-N
XLogP2.17
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one?
The IUPAC name of 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one (CID 70729979) is 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCC2)C1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one?
The InChIKey is AWAIIQLVIWJZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c20-15-5-6-17(21-12-15)22-7-9-23(10-8-22)19(26)14-11-18(25)24(13-14)16-3-1-2-4-16/h5-6,12,14,16H,1-4,7-11,13H2.
What are the key properties of 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one?
4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one has a molecular weight of 376.89 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one is sourced from PubChem (CID 70729979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).