(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

C17H19N3O2 — CID 21019677

IUPAC(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c1-19-10-12-20(13-11-19)17(21)15-8-5-9-18-16(15)22-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyQCUAEYNUHQHONI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.26
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone

(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 21019677) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
PubChem CID21019677
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
SMILESCN1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C17H19N3O2/c1-19-10-12-20(13-11-19)17(21)15-8-5-9-18-16(15)22-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyQCUAEYNUHQHONI-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 71877134
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 6976014
[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
[4-[2-(4-bromophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 39402025
1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
CID 44756891
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 24646101

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone (CID 21019677) is (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is CN1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is QCUAEYNUHQHONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-19-10-12-20(13-11-19)17(21)15-8-5-9-18-16(15)22-14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone?
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 297.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 21019677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).