(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone

C13H16ClN3O — CID 61052707

IUPAC(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H16ClN3O/c14-12-4-1-10(9-15-12)13(18)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyYBGVRGVWGCCRFZ-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.66
Rot. Bonds2

About (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone

(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone (PubChem CID 61052707) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
PubChem CID61052707
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Cl)nc1)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H16ClN3O/c14-12-4-1-10(9-15-12)13(18)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2
InChIKeyYBGVRGVWGCCRFZ-UHFFFAOYSA-N
XLogP1.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone (CID 61052707) is (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone is O=C(c1ccc(Cl)nc1)N1CCN(C2CC2)CC1.
What is the InChIKey of (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
The InChIKey is YBGVRGVWGCCRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-4-1-10(9-15-12)13(18)17-7-5-16(6-8-17)11-2-3-11/h1,4,9,11H,2-3,5-8H2.
What are the key properties of (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone?
(6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone has a molecular weight of 265.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)-(4-cyclopropylpiperazin-1-yl)methanone is sourced from PubChem (CID 61052707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).