[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium

C16H24N3O3+ — CID 142939386

IUPAC[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
SMILESCOc1ccc(N2CCC(N3CCOCC3)CC2)cc1[NH+]=O
InChIInChI=1S/C16H23N3O3/c1-21-16-3-2-14(12-15(16)17-20)18-6-4-13(5-7-18)19-8-10-22-11-9-19/h2-3,12-13H,4-11H2,1H3/p+1
InChIKeyQERATAGOGBFZBN-UHFFFAOYSA-O
MW306.39 g/mol
LogP0.47
Rot. Bonds4

About [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium

[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium (PubChem CID 142939386) has the molecular formula C16H24N3O3+ and a molecular weight of 306.39 g/mol. Its IUPAC name is [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium.

Molecular Properties

Compound Name[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
PubChem CID142939386
Molecular FormulaC16H24N3O3+
Molecular Weight306.39 g/mol
Exact Mass306.18
IUPAC Name[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium
SMILESCOc1ccc(N2CCC(N3CCOCC3)CC2)cc1[NH+]=O
InChIInChI=1S/C16H23N3O3/c1-21-16-3-2-14(12-15(16)17-20)18-6-4-13(5-7-18)19-8-10-22-11-9-19/h2-3,12-13H,4-11H2,1H3/p+1
InChIKeyQERATAGOGBFZBN-UHFFFAOYSA-O
XLogP0.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-ethyl-3-methoxyphenyl)piperidin-4-yl]morpholine
CID 135300472
2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)aniline;4-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]morpholine
CID 158570473
2-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-4-N-(2-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
CID 59284577
N-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]formamide
CID 172863969
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
2-isocyano-4-(4-morpholin-4-ylpiperidin-1-yl)aniline
CID 21018337
4-N-ethyl-6-N-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridine-4,6-diamine
CID 166865553
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
1-(3-aminophenyl)-3-[2-[2-methoxy-4-(4-morpholin-4-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]urea
CID 118352144
5-(4-morpholin-4-ylpiperidin-1-yl)pyridin-2-amine
CID 67513413

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium?
The IUPAC name of [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium (CID 142939386) is [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium.
What is the SMILES notation for [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium?
The canonical SMILES for [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium is COc1ccc(N2CCC(N3CCOCC3)CC2)cc1[NH+]=O.
What is the InChIKey of [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium?
The InChIKey is QERATAGOGBFZBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O3/c1-21-16-3-2-14(12-15(16)17-20)18-6-4-13(5-7-18)19-8-10-22-11-9-19/h2-3,12-13H,4-11H2,1H3/p+1.
What are the key properties of [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium?
[2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium has a molecular weight of 306.39 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-oxoazanium is sourced from PubChem (CID 142939386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).