cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone

C22H27N3O2 — CID 162665446

IUPACcyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1)C1CC1
InChIInChI=1S/C22H27N3O2/c26-22(18-2-3-18)19-4-6-21(7-5-19)27-17-1-12-24-13-15-25(16-14-24)20-8-10-23-11-9-20/h4-11,18H,1-3,12-17H2
InChIKeyMHFUOIGTIQCKRH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds8

About cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone

cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone (PubChem CID 162665446) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
PubChem CID162665446
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Namecyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1)C1CC1
InChIInChI=1S/C22H27N3O2/c26-22(18-2-3-18)19-4-6-21(7-5-19)27-17-1-12-24-13-15-25(16-14-24)20-8-10-23-11-9-20/h4-11,18H,1-3,12-17H2
InChIKeyMHFUOIGTIQCKRH-UHFFFAOYSA-N
XLogP3.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone (CID 162665446) is cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone is O=C(c1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone?
The InChIKey is MHFUOIGTIQCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(18-2-3-18)19-4-6-21(7-5-19)27-17-1-12-24-13-15-25(16-14-24)20-8-10-23-11-9-20/h4-11,18H,1-3,12-17H2.
What are the key properties of cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone?
cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone is sourced from PubChem (CID 162665446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).