ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium

C19H36N4OV — CID 142427546

IUPACethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium
SMILESC#N.CC.CC.CCC(=O)N1CCN(C2CCC(C#N)CC2)CC1.[V]
InChIInChI=1S/C14H23N3O.2C2H6.CHN.V/c1-2-14(18)17-9-7-16(8-10-17)13-5-3-12(11-15)4-6-13;3*1-2;/h12-13H,2-10H2,1H3;2*1-2H3;1H;
InChIKeyHLJUMALLHOZEOR-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.81
Rot. Bonds2

About ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium

ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium (PubChem CID 142427546) has the molecular formula C19H36N4OV and a molecular weight of 387.47 g/mol. Its IUPAC name is ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium.

Molecular Properties

Compound Nameethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium
PubChem CID142427546
Molecular FormulaC19H36N4OV
Molecular Weight387.47 g/mol
Exact Mass387.23
IUPAC Nameethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium
SMILESC#N.CC.CC.CCC(=O)N1CCN(C2CCC(C#N)CC2)CC1.[V]
InChIInChI=1S/C14H23N3O.2C2H6.CHN.V/c1-2-14(18)17-9-7-16(8-10-17)13-5-3-12(11-15)4-6-13;3*1-2;/h12-13H,2-10H2,1H3;2*1-2H3;1H;
InChIKeyHLJUMALLHOZEOR-UHFFFAOYSA-N
XLogP3.81
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 113073042
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-(4-ethynylpiperidin-1-yl)propan-1-one
CID 138985920
bis(4-cyanocyclohexane-1-carboxylic acid);propane-1,1-diol
CID 70532411
1-hexanoylpiperidine-4-carbonitrile
CID 49062755
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
butyl 4-(4-cyanopiperidin-1-yl)piperidine-1-carboxylate
CID 69057256
4-(4-cyclopropylpiperazin-1-yl)-4-oxobutanoic acid
CID 4742011
1-methyl-3-(4-propanoylpiperazin-1-yl)pyrrolidin-2-one
CID 91925816
4-(4-acetylpiperazin-1-yl)-1-aminocyclohexane-1-carbonitrile
CID 117038162

Frequently Asked Questions

What is the IUPAC name of ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium?
The IUPAC name of ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium (CID 142427546) is ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium.
What is the SMILES notation for ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium?
The canonical SMILES for ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium is C#N.CC.CC.CCC(=O)N1CCN(C2CCC(C#N)CC2)CC1.[V].
What is the InChIKey of ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium?
The InChIKey is HLJUMALLHOZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2C2H6.CHN.V/c1-2-14(18)17-9-7-16(8-10-17)13-5-3-12(11-15)4-6-13;3*1-2;/h12-13H,2-10H2,1H3;2*1-2H3;1H;.
What are the key properties of ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium?
ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium has a molecular weight of 387.47 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formonitrile;4-(4-propanoylpiperazin-1-yl)cyclohexane-1-carbonitrile;vanadium is sourced from PubChem (CID 142427546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).