1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone

C20H24N4O3 — CID 109169022

IUPAC1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15(25)23-9-11-24(12-10-23)20(26)17-7-8-21-19(13-17)22-14-16-3-5-18(27-2)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyNODDPEXKNXYBOF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.01
Rot. Bonds5

About 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109169022) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID109169022
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1
InChIInChI=1S/C20H24N4O3/c1-15(25)23-9-11-24(12-10-23)20(26)17-7-8-21-19(13-17)22-14-16-3-5-18(27-2)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
InChIKeyNODDPEXKNXYBOF-UHFFFAOYSA-N
XLogP2.01
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone 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

1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
1-[4-[6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346002
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
N-[(4-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109170550
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
1-[4-[4-[(4-methoxyphenyl)methylamino]-6-methylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112914977
N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341646
2-[(4-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169599
N-(2,6-dimethylphenyl)-2-[(4-methoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109171299
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 109169022) is 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc(CNc2cc(C(=O)N3CCN(C(C)=O)CC3)ccn2)cc1.
What is the InChIKey of 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is NODDPEXKNXYBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(25)23-9-11-24(12-10-23)20(26)17-7-8-21-19(13-17)22-14-16-3-5-18(27-2)6-4-16/h3-8,13H,9-12,14H2,1-2H3,(H,21,22).
What are the key properties of 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 368.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109169022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).