3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium

C34H61N4O3V- — CID 172604778

IUPAC3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium
SMILESCC(C)C(=O)CN1CCC2(CC1)CCN(C(=O)C(C)C)CC2.CC(C)C(=O)N1CCC(CCC2CC[N-]CC2)CC1.[V]
InChIInChI=1S/C18H32N2O2.C16H29N2O.V/c1-14(2)16(21)13-19-9-5-18(6-10-19)7-11-20(12-8-18)17(22)15(3)4;1-13(2)16(19)18-11-7-15(8-12-18)4-3-14-5-9-17-10-6-14;/h14-15H,5-13H2,1-4H3;13-15H,3-12H2,1-2H3;/q;-1;
InChIKeyMEQXHSAGTUEJRJ-UHFFFAOYSA-N
MW624.83 g/mol
LogP6.01
Rot. Bonds8

About 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium

3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium (PubChem CID 172604778) has the molecular formula C34H61N4O3V- and a molecular weight of 624.83 g/mol. Its IUPAC name is 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium.

Molecular Properties

Compound Name3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium
PubChem CID172604778
Molecular FormulaC34H61N4O3V-
Molecular Weight624.83 g/mol
Exact Mass624.42
IUPAC Name3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium
SMILESCC(C)C(=O)CN1CCC2(CC1)CCN(C(=O)C(C)C)CC2.CC(C)C(=O)N1CCC(CCC2CC[N-]CC2)CC1.[V]
InChIInChI=1S/C18H32N2O2.C16H29N2O.V/c1-14(2)16(21)13-19-9-5-18(6-10-19)7-11-20(12-8-18)17(22)15(3)4;1-13(2)16(19)18-11-7-15(8-12-18)4-3-14-5-9-17-10-6-14;/h14-15H,5-13H2,1-4H3;13-15H,3-12H2,1-2H3;/q;-1;
InChIKeyMEQXHSAGTUEJRJ-UHFFFAOYSA-N
XLogP6.01
TPSA75.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium with MolForge

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Related Compounds

1-[4-[3-[1-[3-[4-[3-(1-Methylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]butan-1-one
CID 90441081
1-[4-[3-[1-[3-[4-[3-(1-Tert-butylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 132059290
4,4-Dimethyl-1-[4-[3-[1-[3-[4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]pentan-1-one
CID 154965482
Tert-butylcyclohexane;1-(4-tert-butylpiperidin-1-yl)ethanone;tris(4-tert-butyl-1-propylpiperidine)
CID 159386945
Carbanide;1-[1-methyl-4-[(1-methyl-1-propanoylpiperidin-1-ium-4-yl)methyl]piperidin-1-ium-1-yl]propan-1-one;1-[4-[(1-propanoylpiperidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 160592103
1-(4-Ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-propylpiperazine
CID 162095432
1-[4-[3-[1-[3-[4-[3-(1-Butan-2-ylpiperidin-4-yl)propyl]piperidin-1-yl]propanoyl]piperidin-4-yl]propyl]piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 166720111
2-Methyl-1-[4-[3-[4-[5-[4-[2-[1-(2-methylpropanoyl)piperidin-4-yl]ethyl]piperidin-1-yl]hexan-2-yl]piperidin-1-yl]propyl]piperidin-1-yl]propan-1-one
CID 170221464
Ethane;1-(4-ethylpiperazin-1-yl)butan-1-one;3-methyl-6-propan-2-ylnonane;3-methyl-1-[4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 178000036

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium?
The IUPAC name of 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium (CID 172604778) is 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium.
What is the SMILES notation for 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium?
The canonical SMILES for 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium is CC(C)C(=O)CN1CCC2(CC1)CCN(C(=O)C(C)C)CC2.CC(C)C(=O)N1CCC(CCC2CC[N-]CC2)CC1.[V].
What is the InChIKey of 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium?
The InChIKey is MEQXHSAGTUEJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2.C16H29N2O.V/c1-14(2)16(21)13-19-9-5-18(6-10-19)7-11-20(12-8-18)17(22)15(3)4;1-13(2)16(19)18-11-7-15(8-12-18)4-3-14-5-9-17-10-6-14;/h14-15H,5-13H2,1-4H3;13-15H,3-12H2,1-2H3;/q;-1;.
What are the key properties of 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium?
3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium has a molecular weight of 624.83 g/mol, XLogP of 6.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2-methylpropanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]butan-2-one;2-methyl-1-[4-(2-piperidin-1-id-4-ylethyl)piperidin-1-yl]propan-1-one;vanadium is sourced from PubChem (CID 172604778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).