(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

C18H21N3O2 — CID 90652453

IUPAC(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCN(C)C(c3ccccc3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(13-17(20)14-6-4-3-5-7-14)18(22)16-12-15(23-2)8-9-19-16/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyVVGZLYJIVBMXHP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.22
Rot. Bonds3

About (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone

(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (PubChem CID 90652453) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
PubChem CID90652453
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
SMILESCOc1ccnc(C(=O)N2CCN(C)C(c3ccccc3)C2)c1
InChIInChI=1S/C18H21N3O2/c1-20-10-11-21(13-17(20)14-6-4-3-5-7-14)18(22)16-12-15(23-2)8-9-19-16/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyVVGZLYJIVBMXHP-UHFFFAOYSA-N
XLogP2.22
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 110313915
methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(2,6-dimethoxyphenyl)-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293276
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
(4-methyl-3-phenylpiperazin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 110098379
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
N-methyl-3-[(2R)-1-methyl-4-(pyridine-2-carbonyl)piperazin-2-yl]benzamide
CID 124942684
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
[(3S)-4-methyl-3-phenylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124989714
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
2-cyclopropyl-1-[3-(3-methoxyphenyl)-4-methylpiperazin-1-yl]propan-1-one
CID 110632008

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone (CID 90652453) is (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is COc1ccnc(C(=O)N2CCN(C)C(c3ccccc3)C2)c1.
What is the InChIKey of (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
The InChIKey is VVGZLYJIVBMXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-10-11-21(13-17(20)14-6-4-3-5-7-14)18(22)16-12-15(23-2)8-9-19-16/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone?
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90652453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).