carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)

C17H26N2OU — CID 163783016

IUPACcarbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
SMILESC=CCN1CCN(Cc2[c-]c(OC)c(C)cc2)CC1.[CH3-].[U+2]
InChIInChI=1S/C16H23N2O.CH3.U/c1-4-7-17-8-10-18(11-9-17)13-15-6-5-14(2)16(12-15)19-3;;/h4-6H,1,7-11,13H2,2-3H3;1H3;/q2*-1;+2
InChIKeyDXDPJEXCGHKWRU-UHFFFAOYSA-N
MW512.44 g/mol
LogP2.56
Rot. Bonds5

About carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)

carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) (PubChem CID 163783016) has the molecular formula C17H26N2OU and a molecular weight of 512.44 g/mol. Its IUPAC name is carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+).

Molecular Properties

Compound Namecarbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
PubChem CID163783016
Molecular FormulaC17H26N2OU
Molecular Weight512.44 g/mol
Exact Mass512.26
IUPAC Namecarbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
SMILESC=CCN1CCN(Cc2[c-]c(OC)c(C)cc2)CC1.[CH3-].[U+2]
InChIInChI=1S/C16H23N2O.CH3.U/c1-4-7-17-8-10-18(11-9-17)13-15-6-5-14(2)16(12-15)19-3;;/h4-6H,1,7-11,13H2,2-3H3;1H3;/q2*-1;+2
InChIKeyDXDPJEXCGHKWRU-UHFFFAOYSA-N
XLogP2.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.44
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) with MolForge

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Related Compounds

ethane;1-methyl-4-[(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienyl]piperazine
CID 144269964
1-methyl-4-[(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienyl]piperazine
CID 144269965
1-(2-Ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
CID 123482085
But-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256401
1-(3-Methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256402
1-[(5,6-Dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
CID 142272175
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508035
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
CID 143655676
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
1-[(2-Methoxycyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 149020798
1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
CID 155301882
1-Butyl-4-methylpiperazine;ethane;3-methoxy-7-methylcyclohepta-1,3,5-triene
CID 156867763

Frequently Asked Questions

What is the IUPAC name of carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)?
The IUPAC name of carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) (CID 163783016) is carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+).
What is the SMILES notation for carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)?
The canonical SMILES for carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) is C=CCN1CCN(Cc2[c-]c(OC)c(C)cc2)CC1.[CH3-].[U+2].
What is the InChIKey of carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)?
The InChIKey is DXDPJEXCGHKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2O.CH3.U/c1-4-7-17-8-10-18(11-9-17)13-15-6-5-14(2)16(12-15)19-3;;/h4-6H,1,7-11,13H2,2-3H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)?
carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) has a molecular weight of 512.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+) is sourced from PubChem (CID 163783016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).