(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone

C17H25N3O3 — CID 121360080

IUPAC(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(N)c(C(=O)N2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-22-16-12-14(18)13(17(21)20-7-9-23-10-8-20)11-15(16)19-5-3-2-4-6-19/h11-12H,2-10,18H2,1H3
InChIKeyCLBJIYQHASZTFZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.74
Rot. Bonds3

About (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone

(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone (PubChem CID 121360080) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
PubChem CID121360080
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(N)c(C(=O)N2CCOCC2)cc1N1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-22-16-12-14(18)13(17(21)20-7-9-23-10-8-20)11-15(16)19-5-3-2-4-6-19/h11-12H,2-10,18H2,1H3
InChIKeyCLBJIYQHASZTFZ-UHFFFAOYSA-N
XLogP1.74
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
4,5-dimethoxy-2-piperidin-1-ylaniline
CID 616846
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
CID 83012420
morpholin-4-yl-[4-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)pyrimidin-5-yl]methanone
CID 42670236
(2S)-2-amino-2-(2,5-dimethoxy-4-piperidin-1-ylphenyl)acetic acid
CID 66513276
(2-amino-4,5-dimethoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43246100
4-(2-amino-4,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 79662458
[4-(dimethylamino)-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone
CID 145213413
(2-bromo-4,5-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 172646588
(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 82183619

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone (CID 121360080) is (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone is COc1cc(N)c(C(=O)N2CCOCC2)cc1N1CCCCC1.
What is the InChIKey of (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone?
The InChIKey is CLBJIYQHASZTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-16-12-14(18)13(17(21)20-7-9-23-10-8-20)11-15(16)19-5-3-2-4-6-19/h11-12H,2-10,18H2,1H3.
What are the key properties of (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone?
(2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxy-5-piperidin-1-ylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 121360080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).