[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone

C14H18ClN3O2 — CID 84589797

IUPAC[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C14H18ClN3O2/c15-12-9-16-3-1-13(12)17-4-6-18(7-5-17)14(19)11-2-8-20-10-11/h1,3,9,11H,2,4-8,10H2
InChIKeyIKKITNCVOYVNKU-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.42
Rot. Bonds2

About [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone

[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 84589797) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID84589797
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C14H18ClN3O2/c15-12-9-16-3-1-13(12)17-4-6-18(7-5-17)14(19)11-2-8-20-10-11/h1,3,9,11H,2,4-8,10H2
InChIKeyIKKITNCVOYVNKU-UHFFFAOYSA-N
XLogP1.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone (CID 84589797) is [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is IKKITNCVOYVNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-12-9-16-3-1-13(12)17-4-6-18(7-5-17)14(19)11-2-8-20-10-11/h1,3,9,11H,2,4-8,10H2.
What are the key properties of [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-pyridinyl)piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 84589797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).