(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone

C20H23N3O4 — CID 163742719

IUPAC(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone
SMILESC=Nc1cc(OC)c(C2CCN(C(=O)c3ccc(O)c(OC)c3)CC2)cn1
InChIInChI=1S/C20H23N3O4/c1-21-19-11-17(26-2)15(12-22-19)13-6-8-23(9-7-13)20(25)14-4-5-16(24)18(10-14)27-3/h4-5,10-13,24H,1,6-9H2,2-3H3
InChIKeyLJEJCZSUDCUSQO-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.16
Rot. Bonds5

About (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone

(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone (PubChem CID 163742719) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone
PubChem CID163742719
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone
SMILESC=Nc1cc(OC)c(C2CCN(C(=O)c3ccc(O)c(OC)c3)CC2)cn1
InChIInChI=1S/C20H23N3O4/c1-21-19-11-17(26-2)15(12-22-19)13-6-8-23(9-7-13)20(25)14-4-5-16(24)18(10-14)27-3/h4-5,10-13,24H,1,6-9H2,2-3H3
InChIKeyLJEJCZSUDCUSQO-UHFFFAOYSA-N
XLogP3.16
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982
(3,4-dimethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818753
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
(3-hydroxy-4-methoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 79673435
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3-chloropyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79733149
[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-(3-hydroxy-4-methoxyphenyl)methanone
CID 56900540
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
2-[1-(3-hydroxy-4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 79672061
[4-(4-tert-butylcyclohexyl)piperazin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 162670595

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone (CID 163742719) is (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone is C=Nc1cc(OC)c(C2CCN(C(=O)c3ccc(O)c(OC)c3)CC2)cn1.
What is the InChIKey of (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is LJEJCZSUDCUSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-21-19-11-17(26-2)15(12-22-19)13-6-8-23(9-7-13)20(25)14-4-5-16(24)18(10-14)27-3/h4-5,10-13,24H,1,6-9H2,2-3H3.
What are the key properties of (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone?
(4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 369.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methoxyphenyl)-[4-[4-methoxy-6-(methylideneamino)-3-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 163742719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).