cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone

C13H17N3O — CID 110868344

IUPACcyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H17N3O/c17-13(11-1-2-11)16-9-7-15(8-10-16)12-3-5-14-6-4-12/h3-6,11H,1-2,7-10H2
InChIKeyLAZCUZUGQSOJFX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds2

About cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone

cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 110868344) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID110868344
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namecyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(C1CC1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H17N3O/c17-13(11-1-2-11)16-9-7-15(8-10-16)12-3-5-14-6-4-12/h3-6,11H,1-2,7-10H2
InChIKeyLAZCUZUGQSOJFX-UHFFFAOYSA-N
XLogP1.14
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 110868344) is cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(C1CC1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is LAZCUZUGQSOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(11-1-2-11)16-9-7-15(8-10-16)12-3-5-14-6-4-12/h3-6,11H,1-2,7-10H2.
What are the key properties of cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone?
cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110868344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).