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

C19H22N4O3 — CID 70751840

IUPAC(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccn1
InChIInChI=1S/C19H22N4O3/c1-20-17-13-15(7-8-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-5-16(26-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyWGUIBIXFTILVRM-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.73
Rot. Bonds4

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

(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone (PubChem CID 70751840) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
PubChem CID70751840
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
SMILESCNc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccn1
InChIInChI=1S/C19H22N4O3/c1-20-17-13-15(7-8-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-5-16(26-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKeyWGUIBIXFTILVRM-UHFFFAOYSA-N
XLogP1.73
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 56874345
3-azaspiro[5.5]undecan-3-yl-[2-(methylamino)-4-pyridinyl]methanone
CID 62930860
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[(2S,3S,6S)-3-(4-methoxyphenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 133138598
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
[4-(2,4-dimethylpyrimidine-5-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 70773461

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone (CID 70751840) is (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone is CNc1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)ccn1.
What is the InChIKey of (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone?
The InChIKey is WGUIBIXFTILVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-20-17-13-15(7-8-21-17)19(25)23-11-9-22(10-12-23)18(24)14-3-5-16(26-2)6-4-14/h3-8,13H,9-12H2,1-2H3,(H,20,21).
What are the key properties of (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 70751840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).