N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium

C20H36N3O4V- — CID 176983595

IUPACN-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium
SMILESCC(C)C1CCN(C(=O)COCCOCCNC(=O)C2CC[N-]CC2)CC1.[V]
InChIInChI=1S/C20H36N3O4.V/c1-16(2)17-5-10-23(11-6-17)19(24)15-27-14-13-26-12-9-22-20(25)18-3-7-21-8-4-18;/h16-18H,3-15H2,1-2H3,(H,22,25);/q-1;
InChIKeyDAUOSCVFBKBEBK-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.81
Rot. Bonds10

About N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium

N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium (PubChem CID 176983595) has the molecular formula C20H36N3O4V- and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium.

Molecular Properties

Compound NameN-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium
PubChem CID176983595
Molecular FormulaC20H36N3O4V-
Molecular Weight433.47 g/mol
Exact Mass433.22
IUPAC NameN-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium
SMILESCC(C)C1CCN(C(=O)COCCOCCNC(=O)C2CC[N-]CC2)CC1.[V]
InChIInChI=1S/C20H36N3O4.V/c1-16(2)17-5-10-23(11-6-17)19(24)15-27-14-13-26-12-9-22-20(25)18-3-7-21-8-4-18;/h16-18H,3-15H2,1-2H3,(H,22,25);/q-1;
InChIKeyDAUOSCVFBKBEBK-UHFFFAOYSA-N
XLogP1.81
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

molecular hydrogen;N-[2-[3-oxo-3-(4-propan-2-ylpiperidin-1-yl)propoxy]ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 176986324
2-[3-(azetidin-3-yloxy)propoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155031564
ethane;2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 143709835
ethane;1-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]piperidine-4-carboxamide
CID 177054985
2-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 20811818
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-(3-methylhexyl)-1-(2-methylsulfanylacetyl)piperidine-4-carboxamide
CID 170067702
1-(4-propan-2-ylpiperidin-1-yl)-2-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propoxy]ethanone
CID 177123002
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium?
The IUPAC name of N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium (CID 176983595) is N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium.
What is the SMILES notation for N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium?
The canonical SMILES for N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium is CC(C)C1CCN(C(=O)COCCOCCNC(=O)C2CC[N-]CC2)CC1.[V].
What is the InChIKey of N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium?
The InChIKey is DAUOSCVFBKBEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N3O4.V/c1-16(2)17-5-10-23(11-6-17)19(24)15-27-14-13-26-12-9-22-20(25)18-3-7-21-8-4-18;/h16-18H,3-15H2,1-2H3,(H,22,25);/q-1;.
What are the key properties of N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium?
N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium has a molecular weight of 433.47 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-oxo-2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]ethyl]piperidin-1-ide-4-carboxamide;vanadium is sourced from PubChem (CID 176983595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).