ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium

C16H33N3OV — CID 172604282

IUPACethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium
SMILESCC.CC(C)C(=O)CN1CCN(C2CCNCC2)CC1.[V]
InChIInChI=1S/C14H27N3O.C2H6.V/c1-12(2)14(18)11-16-7-9-17(10-8-16)13-3-5-15-6-4-13;1-2;/h12-13,15H,3-11H2,1-2H3;1-2H3;
InChIKeyKWNHPTYKHLTSPZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.60
Rot. Bonds4

About ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium

ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium (PubChem CID 172604282) has the molecular formula C16H33N3OV and a molecular weight of 334.40 g/mol. Its IUPAC name is ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium.

Molecular Properties

Compound Nameethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium
PubChem CID172604282
Molecular FormulaC16H33N3OV
Molecular Weight334.40 g/mol
Exact Mass334.21
IUPAC Nameethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium
SMILESCC.CC(C)C(=O)CN1CCN(C2CCNCC2)CC1.[V]
InChIInChI=1S/C14H27N3O.C2H6.V/c1-12(2)14(18)11-16-7-9-17(10-8-16)13-3-5-15-6-4-13;1-2;/h12-13,15H,3-11H2,1-2H3;1-2H3;
InChIKeyKWNHPTYKHLTSPZ-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium?
The IUPAC name of ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium (CID 172604282) is ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium.
What is the SMILES notation for ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium?
The canonical SMILES for ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium is CC.CC(C)C(=O)CN1CCN(C2CCNCC2)CC1.[V].
What is the InChIKey of ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium?
The InChIKey is KWNHPTYKHLTSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.C2H6.V/c1-12(2)14(18)11-16-7-9-17(10-8-16)13-3-5-15-6-4-13;1-2;/h12-13,15H,3-11H2,1-2H3;1-2H3;.
What are the key properties of ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium?
ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium has a molecular weight of 334.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)butan-2-one;vanadium is sourced from PubChem (CID 172604282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).