3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one

C15H20ClN3O2 — CID 56816482

IUPAC3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-9-11(10-17-14(13)20)15(21)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,17,20)
InChIKeyMHZHRBJOAOXYSI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one

3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 56816482) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
PubChem CID56816482
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H20ClN3O2/c16-13-9-11(10-17-14(13)20)15(21)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,17,20)
InChIKeyMHZHRBJOAOXYSI-UHFFFAOYSA-N
XLogP1.73
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one (CID 56816482) is 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is MHZHRBJOAOXYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-9-11(10-17-14(13)20)15(21)19-7-5-18(6-8-19)12-3-1-2-4-12/h9-10,12H,1-8H2,(H,17,20).
What are the key properties of 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one?
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 309.80 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 56816482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).