(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H19N3O2 — CID 790124

IUPAC(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-3-8-18-16/h2-8,13H,9-12H2,1H3
InChIKeyNOZKDIFWKRGOBE-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.05
Rot. Bonds3

About (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 790124) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID790124
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C17H19N3O2/c1-22-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-3-8-18-16/h2-8,13H,9-12H2,1H3
InChIKeyNOZKDIFWKRGOBE-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 5684
CID 5684
CID 4658
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CID 449646
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CID 6603915
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CID 28761
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CID 11834378
CID 11834378
CID 44520951
CID 44520951
CID 44520964
CID 44520964
CID 821599
CID 821599
CID 10783358
CID 10783358
CID 9865577
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CID 11795906
CID 11795906

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 790124) is (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1cccc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NOZKDIFWKRGOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-15-6-4-5-14(13-15)17(21)20-11-9-19(10-12-20)16-7-2-3-8-18-16/h2-8,13H,9-12H2,1H3.
What are the key properties of (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 790124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).