(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone

C18H19N3O3 — CID 712550

IUPAC(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H19N3O3/c1-24-16-6-2-4-14(12-16)17(22)20-8-10-21(11-9-20)18(23)15-5-3-7-19-13-15/h2-7,12-13H,8-11H2,1H3
InChIKeyHIKIJCJCAFGIRB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.69
Rot. Bonds3

About (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone

(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 712550) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID712550
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C18H19N3O3/c1-24-16-6-2-4-14(12-16)17(22)20-8-10-21(11-9-20)18(23)15-5-3-7-19-13-15/h2-7,12-13H,8-11H2,1H3
InChIKeyHIKIJCJCAFGIRB-UHFFFAOYSA-N
XLogP1.69
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110364631
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 19865890

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 712550) is (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is COc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is HIKIJCJCAFGIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-16-6-2-4-14(12-16)17(22)20-8-10-21(11-9-20)18(23)15-5-3-7-19-13-15/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 712550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).